Found 80 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262116
(CHEMBL4060830)Show SMILES CCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)| Show InChI InChI=1S/C92H151N19O22/c1-7-9-11-12-13-14-15-16-20-32-76(114)102-58-64-33-37-65(38-34-64)80(118)107-70(87(125)126)41-42-77(115)98-45-24-48-130-50-52-132-53-51-131-49-25-46-99-78(116)59-133-60-79(117)103-72(55-62-35-39-66(112)40-36-62)84(122)110-92(5,57-63-26-18-17-19-27-63)89(129)109-71(54-61(3)4)83(121)104-67(28-10-8-2)81(119)106-69(30-22-43-100-90(94)95)86(124)111-47-23-31-74(111)85(123)105-68(29-21-44-101-91(96)97-6)82(120)108-73(88(127)128)56-75(93)113/h17-19,26-27,35-36,39-40,61,64-65,67-74,112H,7-16,20-25,28-34,37-38,41-60H2,1-6H3,(H2,93,113)(H,98,115)(H,99,116)(H,102,114)(H,103,117)(H,104,121)(H,105,123)(H,106,119)(H,107,118)(H,108,120)(H,109,129)(H,110,122)(H,125,126)(H,127,128)(H4,94,95,100)(H3,96,97,101)/t64-,65-,67?,68-,69-,70-,71-,72-,73-,74-,92?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262111
(CHEMBL4081819)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.880 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262117
(CHEMBL4067577)Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O |r,wU:103.107,85.88,68.69,wD:64.65,99.103,115.119,28.38,8.12,71.73,(74.22,-35,;74.23,-33.46,;72.89,-32.69,;72.9,-31.15,;71.55,-30.38,;70.2,-31.14,;68.85,-30.39,;68.85,-28.85,;67.51,-31.16,;67.52,-32.7,;68.85,-33.46,;70.18,-32.7,;68.85,-35.01,;66.18,-30.39,;64.84,-31.15,;64.84,-32.7,;63.52,-30.39,;62.17,-29.61,;63.51,-28.85,;64.85,-28.08,;66.18,-28.85,;67.52,-28.08,;67.52,-26.54,;66.18,-25.77,;64.85,-26.54,;62.17,-31.15,;60.85,-30.38,;60.84,-28.84,;59.51,-31.16,;59.51,-32.7,;60.84,-33.47,;62.17,-32.7,;63.51,-33.47,;63.51,-35.01,;64.86,-35.75,;62.17,-35.77,;60.84,-35.01,;58.17,-30.38,;56.85,-31.17,;56.87,-32.7,;55.51,-30.41,;54.19,-31.2,;52.84,-30.45,;51.51,-31.22,;51.51,-32.75,;50.18,-30.45,;48.85,-31.22,;47.52,-30.45,;46.19,-31.22,;44.85,-30.45,;43.52,-31.22,;42.19,-30.45,;40.86,-31.22,;39.53,-30.45,;38.19,-31.22,;36.86,-30.45,;35.53,-31.22,;34.2,-30.45,;32.86,-31.22,;31.53,-30.45,;30.2,-31.22,;30.19,-32.76,;28.86,-30.44,;27.52,-31.21,;26.19,-30.43,;24.85,-31.2,;23.52,-30.43,;23.52,-28.89,;22.19,-31.19,;22.19,-32.73,;20.85,-33.49,;19.52,-32.72,;18.19,-33.48,;16.86,-32.71,;15.51,-33.48,;14.18,-32.7,;15.51,-35.03,;19.53,-31.18,;20.86,-30.42,;26.19,-28.89,;27.53,-28.13,;24.86,-28.12,;71.55,-28.84,;70.22,-28.07,;72.89,-28.05,;72.89,-26.5,;71.55,-25.73,;71.55,-24.19,;72.89,-23.42,;72.89,-21.87,;74.24,-21.1,;75.57,-21.86,;74.24,-19.56,;74.22,-25.73,;74.22,-24.19,;75.55,-26.5,;75.71,-28.03,;77.21,-28.34,;77.99,-27.01,;76.95,-25.88,;77.28,-24.37,;76.13,-23.33,;78.75,-23.88,;78.79,-22.33,;77.48,-21.53,;77.52,-19.98,;76.2,-19.18,;76.24,-17.63,;74.93,-16.82,;74.97,-15.28,;73.57,-17.55,;72.26,-16.74,;80.14,-21.6,;81.45,-22.4,;80.18,-20.05,;81.54,-19.31,;82.86,-20.11,;84.21,-19.38,;84.26,-17.85,;85.52,-20.19,;81.59,-17.77,;80.28,-16.96,;82.93,-17.04,)| Show InChI InChI=1S/C82H131N19O22/c1-7-8-19-58(71(109)96-60(21-13-33-90-80(84)85)76(114)101-37-14-22-65(101)75(113)95-59(20-12-34-91-81(86)87-6)72(110)98-64(78(117)118)46-66(83)104)94-73(111)62(44-51(2)3)99-79(119)82(5,47-54-17-10-9-11-18-54)100-74(112)63(45-53-25-29-57(103)30-26-53)93-69(107)50-123-49-68(106)89-36-16-39-121-41-43-122-42-40-120-38-15-35-88-67(105)32-31-61(77(115)116)97-70(108)56-27-23-55(24-28-56)48-92-52(4)102/h9-11,17-18,25-26,29-30,51,55-56,58-65,103H,7-8,12-16,19-24,27-28,31-50H2,1-6H3,(H2,83,104)(H,88,105)(H,89,106)(H,92,102)(H,93,107)(H,94,111)(H,95,113)(H,96,109)(H,97,108)(H,98,110)(H,99,119)(H,100,112)(H,115,116)(H,117,118)(H4,84,85,90)(H3,86,87,91)/t55-,56-,58?,59-,60-,61-,62-,63-,64-,65-,82?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262112
(CHEMBL4092080)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)| Show InChI InChI=1S/C97H167N19O22/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-82(119)107-63-69-38-42-70(43-39-69)86(123)112-75(94(131)132)46-47-83(120)103-50-29-53-135-55-57-137-58-56-136-54-30-51-104-84(121)64-138-65-85(122)108-77(61-68-40-44-71(117)45-41-68)90(127)114-78(60-67-31-23-22-24-32-67)91(128)113-76(59-66(3)4)89(126)109-72(33-9-7-2)87(124)111-74(35-27-48-105-96(99)100)93(130)116-52-28-36-80(116)92(129)110-73(34-26-49-106-97(101)102-5)88(125)115-79(95(133)134)62-81(98)118/h40-41,44-45,66-67,69-70,72-80,117H,6-39,42-43,46-65H2,1-5H3,(H2,98,118)(H,103,120)(H,104,121)(H,107,119)(H,108,122)(H,109,126)(H,110,129)(H,111,124)(H,112,123)(H,113,128)(H,114,127)(H,115,125)(H,131,132)(H,133,134)(H4,99,100,105)(H3,101,102,106)/t69-,70-,72?,73-,74-,75-,76-,77-,78?,79-,80-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262109
(CHEMBL4080881)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C96H151N17O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-84(116)102-43-48-130-52-56-134-60-58-132-54-50-128-46-39-85(117)103-44-49-131-53-57-135-61-59-133-55-51-129-47-40-86(118)106-78(65-70-34-37-74(114)38-35-70)89(121)111-80(66-71-33-36-72-27-20-21-28-73(72)63-71)91(123)109-77(62-68(2)3)88(120)110-79(64-69-25-17-16-18-26-69)90(122)108-76(30-23-42-105-96(100)101)93(125)113-45-24-31-82(113)92(124)107-75(29-22-41-104-95(98)99)87(119)112-81(94(126)127)67-83(97)115/h16-18,20-21,25-28,33-38,63,68,75-82,114H,4-15,19,22-24,29-32,39-62,64-67H2,1-3H3,(H2,97,115)(H,102,116)(H,103,117)(H,106,118)(H,107,124)(H,108,122)(H,109,123)(H,110,120)(H,111,121)(H,112,119)(H,126,127)(H4,98,99,104)(H4,100,101,105)/t75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262103
(CHEMBL4079565)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C96H149N25O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-119-48-50-120(51-49-119)59-82(127)109-70(41-42-79(97)124)85(130)118-77(60-122)90(135)111-68(31-23-43-105-94(99)100)83(128)108-58-81(126)110-73(55-63-36-39-67(123)40-37-63)87(132)116-75(56-64-35-38-65-29-20-21-30-66(65)53-64)89(134)114-72(52-61(2)3)86(131)115-74(54-62-27-18-17-19-28-62)88(133)113-71(33-25-45-107-96(103)104)92(137)121-47-26-34-78(121)91(136)112-69(32-24-44-106-95(101)102)84(129)117-76(93(138)139)57-80(98)125/h17-21,27-30,35-40,53,61,68-78,122-123H,4-16,22-26,31-34,41-52,54-60H2,1-3H3,(H2,97,124)(H2,98,125)(H,108,128)(H,109,127)(H,110,126)(H,111,135)(H,112,136)(H,113,133)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,130)(H,138,139)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262101
(CHEMBL4076016)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C82H124N18O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-98-43-45-99(46-44-98)54-72(104)90-53-71(103)91-65(50-57-34-37-61(101)38-35-57)75(107)96-67(51-58-33-36-59-28-20-21-29-60(59)48-58)77(109)94-64(47-55(2)3)74(106)95-66(49-56-26-18-17-19-27-56)76(108)93-63(31-24-40-89-82(86)87)79(111)100-42-25-32-69(100)78(110)92-62(30-23-39-88-81(84)85)73(105)97-68(80(112)113)52-70(83)102/h17-21,26-29,33-38,48,55,62-69,101H,4-16,22-25,30-32,39-47,49-54H2,1-3H3,(H2,83,102)(H,90,104)(H,91,103)(H,92,110)(H,93,108)(H,94,109)(H,95,106)(H,96,107)(H,97,105)(H,112,113)(H4,84,85,88)(H4,86,87,89)/t62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262109
(CHEMBL4080881)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C96H151N17O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-84(116)102-43-48-130-52-56-134-60-58-132-54-50-128-46-39-85(117)103-44-49-131-53-57-135-61-59-133-55-51-129-47-40-86(118)106-78(65-70-34-37-74(114)38-35-70)89(121)111-80(66-71-33-36-72-27-20-21-28-73(72)63-71)91(123)109-77(62-68(2)3)88(120)110-79(64-69-25-17-16-18-26-69)90(122)108-76(30-23-42-105-96(100)101)93(125)113-45-24-31-82(113)92(124)107-75(29-22-41-104-95(98)99)87(119)112-81(94(126)127)67-83(97)115/h16-18,20-21,25-28,33-38,63,68,75-82,114H,4-15,19,22-24,29-32,39-62,64-67H2,1-3H3,(H2,97,115)(H,102,116)(H,103,117)(H,106,118)(H,107,124)(H,108,122)(H,109,123)(H,110,120)(H,111,121)(H,112,119)(H,126,127)(H4,98,99,104)(H4,100,101,105)/t75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50049425
(CHEMBL3356083)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.810 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262118
(CHEMBL4094147)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C88H136N22O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-108-46-48-109(49-47-108)57-76(114)100-65(31-23-41-96-86(90)91)77(115)99-56-75(113)101-69(53-60-36-39-64(111)40-37-60)80(118)106-71(54-61-35-38-62-29-20-21-30-63(62)51-61)82(120)104-68(50-58(2)3)79(117)105-70(52-59-27-18-17-19-28-59)81(119)103-67(33-25-43-98-88(94)95)84(122)110-45-26-34-73(110)83(121)102-66(32-24-42-97-87(92)93)78(116)107-72(85(123)124)55-74(89)112/h17-21,27-30,35-40,51,58,65-73,111H,4-16,22-26,31-34,41-50,52-57H2,1-3H3,(H2,89,112)(H,99,115)(H,100,114)(H,101,113)(H,102,121)(H,103,119)(H,104,120)(H,105,117)(H,106,118)(H,107,116)(H,123,124)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262098
(CHEMBL4061906)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)| Show InChI InChI=1S/C96H159N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-24-36-80(118)106-62-68-37-41-69(42-38-68)84(122)111-74(91(129)130)45-46-81(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-82(120)63-137-64-83(121)107-76(59-66-39-43-70(116)44-40-66)88(126)114-96(5,61-67-30-22-21-23-31-67)93(133)113-75(58-65(3)4)87(125)108-71(32-10-8-2)85(123)110-73(34-26-47-104-94(98)99)90(128)115-51-27-35-78(115)89(127)109-72(33-25-48-105-95(100)101-6)86(124)112-77(92(131)132)60-79(97)117/h21-23,30-31,39-40,43-44,65,68-69,71-78,116H,7-20,24-29,32-38,41-42,45-64H2,1-6H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,127)(H,110,123)(H,111,122)(H,112,124)(H,113,133)(H,114,126)(H,129,130)(H,131,132)(H4,98,99,104)(H3,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77-,78-,96?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262099
(CHEMBL4074121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262119
(CHEMBL4097408)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)| Show InChI InChI=1S/C101H155N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-86(123)111-64-70-35-41-73(42-36-70)90(127)115-78(98(135)136)45-46-87(124)107-49-25-52-139-54-56-141-57-55-140-53-26-50-108-88(125)65-142-66-89(126)112-80(61-69-38-43-75(121)44-39-69)93(130)118-82(62-71-37-40-72-29-20-21-30-74(72)59-71)95(132)116-79(58-67(2)3)92(129)117-81(60-68-27-17-16-18-28-68)94(131)114-77(32-23-48-110-101(105)106)97(134)120-51-24-33-84(120)96(133)113-76(31-22-47-109-100(103)104)91(128)119-83(99(137)138)63-85(102)122/h16-18,20-21,27-30,37-40,43-44,59,67,70,73,76-84,121H,4-15,19,22-26,31-36,41-42,45-58,60-66H2,1-3H3,(H2,102,122)(H,107,124)(H,108,125)(H,111,123)(H,112,126)(H,113,133)(H,114,131)(H,115,127)(H,116,132)(H,117,129)(H,118,130)(H,119,128)(H,135,136)(H,137,138)(H4,103,104,109)(H4,105,106,110)/t70-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262102
(CHEMBL4073508)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C91H141N23O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-112-46-48-113(49-47-112)57-78(119)104-74(58-115)85(126)105-66(31-23-41-99-89(93)94)79(120)102-56-77(118)103-70(53-61-36-39-65(116)40-37-61)82(123)110-72(54-62-35-38-63-29-20-21-30-64(63)51-62)84(125)108-69(50-59(2)3)81(122)109-71(52-60-27-18-17-19-28-60)83(124)107-68(33-25-43-101-91(97)98)87(128)114-45-26-34-75(114)86(127)106-67(32-24-42-100-90(95)96)80(121)111-73(88(129)130)55-76(92)117/h17-21,27-30,35-40,51,59,66-75,115-116H,4-16,22-26,31-34,41-50,52-58H2,1-3H3,(H2,92,117)(H,102,120)(H,103,118)(H,104,119)(H,105,126)(H,106,127)(H,107,124)(H,108,125)(H,109,122)(H,110,123)(H,111,121)(H,129,130)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262117
(CHEMBL4067577)Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O |r,wU:103.107,85.88,68.69,wD:64.65,99.103,115.119,28.38,8.12,71.73,(74.22,-35,;74.23,-33.46,;72.89,-32.69,;72.9,-31.15,;71.55,-30.38,;70.2,-31.14,;68.85,-30.39,;68.85,-28.85,;67.51,-31.16,;67.52,-32.7,;68.85,-33.46,;70.18,-32.7,;68.85,-35.01,;66.18,-30.39,;64.84,-31.15,;64.84,-32.7,;63.52,-30.39,;62.17,-29.61,;63.51,-28.85,;64.85,-28.08,;66.18,-28.85,;67.52,-28.08,;67.52,-26.54,;66.18,-25.77,;64.85,-26.54,;62.17,-31.15,;60.85,-30.38,;60.84,-28.84,;59.51,-31.16,;59.51,-32.7,;60.84,-33.47,;62.17,-32.7,;63.51,-33.47,;63.51,-35.01,;64.86,-35.75,;62.17,-35.77,;60.84,-35.01,;58.17,-30.38,;56.85,-31.17,;56.87,-32.7,;55.51,-30.41,;54.19,-31.2,;52.84,-30.45,;51.51,-31.22,;51.51,-32.75,;50.18,-30.45,;48.85,-31.22,;47.52,-30.45,;46.19,-31.22,;44.85,-30.45,;43.52,-31.22,;42.19,-30.45,;40.86,-31.22,;39.53,-30.45,;38.19,-31.22,;36.86,-30.45,;35.53,-31.22,;34.2,-30.45,;32.86,-31.22,;31.53,-30.45,;30.2,-31.22,;30.19,-32.76,;28.86,-30.44,;27.52,-31.21,;26.19,-30.43,;24.85,-31.2,;23.52,-30.43,;23.52,-28.89,;22.19,-31.19,;22.19,-32.73,;20.85,-33.49,;19.52,-32.72,;18.19,-33.48,;16.86,-32.71,;15.51,-33.48,;14.18,-32.7,;15.51,-35.03,;19.53,-31.18,;20.86,-30.42,;26.19,-28.89,;27.53,-28.13,;24.86,-28.12,;71.55,-28.84,;70.22,-28.07,;72.89,-28.05,;72.89,-26.5,;71.55,-25.73,;71.55,-24.19,;72.89,-23.42,;72.89,-21.87,;74.24,-21.1,;75.57,-21.86,;74.24,-19.56,;74.22,-25.73,;74.22,-24.19,;75.55,-26.5,;75.71,-28.03,;77.21,-28.34,;77.99,-27.01,;76.95,-25.88,;77.28,-24.37,;76.13,-23.33,;78.75,-23.88,;78.79,-22.33,;77.48,-21.53,;77.52,-19.98,;76.2,-19.18,;76.24,-17.63,;74.93,-16.82,;74.97,-15.28,;73.57,-17.55,;72.26,-16.74,;80.14,-21.6,;81.45,-22.4,;80.18,-20.05,;81.54,-19.31,;82.86,-20.11,;84.21,-19.38,;84.26,-17.85,;85.52,-20.19,;81.59,-17.77,;80.28,-16.96,;82.93,-17.04,)| Show InChI InChI=1S/C82H131N19O22/c1-7-8-19-58(71(109)96-60(21-13-33-90-80(84)85)76(114)101-37-14-22-65(101)75(113)95-59(20-12-34-91-81(86)87-6)72(110)98-64(78(117)118)46-66(83)104)94-73(111)62(44-51(2)3)99-79(119)82(5,47-54-17-10-9-11-18-54)100-74(112)63(45-53-25-29-57(103)30-26-53)93-69(107)50-123-49-68(106)89-36-16-39-121-41-43-122-42-40-120-38-15-35-88-67(105)32-31-61(77(115)116)97-70(108)56-27-23-55(24-28-56)48-92-52(4)102/h9-11,17-18,25-26,29-30,51,55-56,58-65,103H,7-8,12-16,19-24,27-28,31-50H2,1-6H3,(H2,83,104)(H,88,105)(H,89,106)(H,92,102)(H,93,107)(H,94,111)(H,95,113)(H,96,109)(H,97,108)(H,98,110)(H,99,119)(H,100,112)(H,115,116)(H,117,118)(H4,84,85,90)(H3,86,87,91)/t55-,56-,58?,59-,60-,61-,62-,63-,64-,65-,82?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262076
(CHEMBL4087316)Show SMILES CCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:104.108,86.89,12.15,wD:18.19,100.104,116.120,46.46,70.72,9.8,(3.72,-15.29,;5.06,-16.07,;6.38,-15.29,;7.72,-16.07,;9.06,-15.29,;10.39,-16.07,;10.39,-17.62,;11.73,-15.3,;13.06,-16.07,;14.4,-15.31,;15.73,-16.08,;17.07,-15.32,;17.07,-13.78,;15.74,-13.01,;14.41,-13.77,;18.4,-13.02,;18.4,-11.48,;19.73,-13.79,;21.06,-13.02,;22.4,-13.8,;23.74,-13.03,;25.07,-13.81,;25.07,-15.35,;26.41,-13.04,;27.74,-13.81,;29.08,-13.04,;30.4,-13.81,;31.74,-13.04,;33.07,-13.81,;34.4,-13.04,;35.73,-13.81,;37.07,-13.04,;38.39,-13.81,;39.73,-13.04,;41.06,-13.81,;42.4,-13.04,;43.72,-13.81,;45.06,-13.04,;46.38,-13.81,;46.38,-15.34,;47.72,-13.04,;49.06,-13.79,;50.38,-13,;51.72,-13.76,;51.74,-15.29,;53.04,-12.97,;54.38,-13.75,;54.38,-15.29,;55.71,-16.06,;57.05,-15.29,;58.38,-16.06,;58.39,-17.6,;59.73,-18.34,;57.04,-18.36,;55.72,-17.6,;55.72,-12.97,;55.71,-11.43,;57.05,-13.74,;58.39,-12.98,;57.05,-12.2,;58.38,-11.44,;59.72,-10.67,;61.05,-11.44,;62.39,-10.67,;62.39,-9.13,;61.05,-8.36,;59.72,-9.13,;59.72,-13.74,;59.72,-15.29,;61.05,-12.98,;62.38,-13.75,;62.39,-15.29,;63.72,-16.05,;65.05,-15.29,;63.72,-17.6,;63.72,-12.98,;63.72,-11.44,;65.07,-13.73,;66.42,-12.97,;67.77,-13.74,;67.76,-15.28,;69.1,-16.05,;69.09,-17.59,;66.43,-11.43,;65.09,-10.66,;67.76,-10.64,;67.76,-9.09,;66.42,-8.32,;66.42,-6.78,;67.76,-6.01,;67.77,-4.46,;69.11,-3.69,;70.44,-4.46,;69.11,-2.15,;69.09,-8.32,;69.09,-6.78,;70.42,-9.09,;70.58,-10.62,;72.09,-10.93,;72.86,-9.6,;71.82,-8.47,;72.15,-6.96,;71,-5.92,;73.62,-6.47,;73.66,-4.92,;72.35,-4.12,;72.39,-2.57,;71.07,-1.77,;71.11,-.22,;69.8,.6,;69.84,2.14,;68.44,-.14,;67.13,.68,;75.01,-4.19,;76.32,-5,;75.05,-2.64,;76.41,-1.91,;77.73,-2.71,;79.08,-1.98,;79.13,-.44,;80.39,-2.78,;76.46,-.36,;75.15,.45,;77.8,.37,;21.07,-11.48,;22.41,-10.72,;19.73,-10.71,)| Show InChI InChI=1S/C86H139N19O22/c1-7-9-12-26-70(108)96-52-58-27-31-59(32-28-58)74(112)101-64(81(119)120)35-36-71(109)92-39-18-42-124-44-46-126-47-45-125-43-19-40-93-72(110)53-127-54-73(111)97-66(49-56-29-33-60(106)34-30-56)78(116)104-86(5,51-57-20-13-11-14-21-57)83(123)103-65(48-55(3)4)77(115)98-61(22-10-8-2)75(113)100-63(24-16-37-94-84(88)89)80(118)105-41-17-25-68(105)79(117)99-62(23-15-38-95-85(90)91-6)76(114)102-67(82(121)122)50-69(87)107/h11,13-14,20-21,29-30,33-34,55,58-59,61-68,106H,7-10,12,15-19,22-28,31-32,35-54H2,1-6H3,(H2,87,107)(H,92,109)(H,93,110)(H,96,108)(H,97,111)(H,98,115)(H,99,117)(H,100,113)(H,101,112)(H,102,114)(H,103,123)(H,104,116)(H,119,120)(H,121,122)(H4,88,89,94)(H3,90,91,95)/t58-,59-,61?,62-,63-,64-,65-,66-,67-,68-,86?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262099
(CHEMBL4074121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262075
(CHEMBL4105113)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C85H130N16O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-74(104)91-42-45-116-47-49-118-51-50-117-48-46-115-44-39-75(105)94-68(55-60-34-37-64(102)38-35-60)78(108)99-70(56-61-33-36-62-27-20-21-28-63(62)53-61)80(110)97-67(52-58(2)3)77(107)98-69(54-59-25-17-16-18-26-59)79(109)96-66(30-23-41-93-85(89)90)82(112)101-43-24-31-72(101)81(111)95-65(29-22-40-92-84(87)88)76(106)100-71(83(113)114)57-73(86)103/h16-18,20-21,25-28,33-38,53,58,65-72,102H,4-15,19,22-24,29-32,39-52,54-57H2,1-3H3,(H2,86,103)(H,91,104)(H,94,105)(H,95,111)(H,96,109)(H,97,110)(H,98,107)(H,99,108)(H,100,106)(H,113,114)(H4,87,88,92)(H4,89,90,93)/t65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262098
(CHEMBL4061906)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)| Show InChI InChI=1S/C96H159N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-24-36-80(118)106-62-68-37-41-69(42-38-68)84(122)111-74(91(129)130)45-46-81(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-82(120)63-137-64-83(121)107-76(59-66-39-43-70(116)44-40-66)88(126)114-96(5,61-67-30-22-21-23-31-67)93(133)113-75(58-65(3)4)87(125)108-71(32-10-8-2)85(123)110-73(34-26-47-104-94(98)99)90(128)115-51-27-35-78(115)89(127)109-72(33-25-48-105-95(100)101-6)86(124)112-77(92(131)132)60-79(97)117/h21-23,30-31,39-40,43-44,65,68-69,71-78,116H,7-20,24-29,32-38,41-42,45-64H2,1-6H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,127)(H,110,123)(H,111,122)(H,112,124)(H,113,133)(H,114,126)(H,129,130)(H,131,132)(H4,98,99,104)(H3,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77-,78-,96?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262109
(CHEMBL4080881)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C96H151N17O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-84(116)102-43-48-130-52-56-134-60-58-132-54-50-128-46-39-85(117)103-44-49-131-53-57-135-61-59-133-55-51-129-47-40-86(118)106-78(65-70-34-37-74(114)38-35-70)89(121)111-80(66-71-33-36-72-27-20-21-28-73(72)63-71)91(123)109-77(62-68(2)3)88(120)110-79(64-69-25-17-16-18-26-69)90(122)108-76(30-23-42-105-96(100)101)93(125)113-45-24-31-82(113)92(124)107-75(29-22-41-104-95(98)99)87(119)112-81(94(126)127)67-83(97)115/h16-18,20-21,25-28,33-38,63,68,75-82,114H,4-15,19,22-24,29-32,39-62,64-67H2,1-3H3,(H2,97,115)(H,102,116)(H,103,117)(H,106,118)(H,107,124)(H,108,122)(H,109,123)(H,110,120)(H,111,121)(H,112,119)(H,126,127)(H4,98,99,104)(H4,100,101,105)/t75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262099
(CHEMBL4074121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262076
(CHEMBL4087316)Show SMILES CCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:104.108,86.89,12.15,wD:18.19,100.104,116.120,46.46,70.72,9.8,(3.72,-15.29,;5.06,-16.07,;6.38,-15.29,;7.72,-16.07,;9.06,-15.29,;10.39,-16.07,;10.39,-17.62,;11.73,-15.3,;13.06,-16.07,;14.4,-15.31,;15.73,-16.08,;17.07,-15.32,;17.07,-13.78,;15.74,-13.01,;14.41,-13.77,;18.4,-13.02,;18.4,-11.48,;19.73,-13.79,;21.06,-13.02,;22.4,-13.8,;23.74,-13.03,;25.07,-13.81,;25.07,-15.35,;26.41,-13.04,;27.74,-13.81,;29.08,-13.04,;30.4,-13.81,;31.74,-13.04,;33.07,-13.81,;34.4,-13.04,;35.73,-13.81,;37.07,-13.04,;38.39,-13.81,;39.73,-13.04,;41.06,-13.81,;42.4,-13.04,;43.72,-13.81,;45.06,-13.04,;46.38,-13.81,;46.38,-15.34,;47.72,-13.04,;49.06,-13.79,;50.38,-13,;51.72,-13.76,;51.74,-15.29,;53.04,-12.97,;54.38,-13.75,;54.38,-15.29,;55.71,-16.06,;57.05,-15.29,;58.38,-16.06,;58.39,-17.6,;59.73,-18.34,;57.04,-18.36,;55.72,-17.6,;55.72,-12.97,;55.71,-11.43,;57.05,-13.74,;58.39,-12.98,;57.05,-12.2,;58.38,-11.44,;59.72,-10.67,;61.05,-11.44,;62.39,-10.67,;62.39,-9.13,;61.05,-8.36,;59.72,-9.13,;59.72,-13.74,;59.72,-15.29,;61.05,-12.98,;62.38,-13.75,;62.39,-15.29,;63.72,-16.05,;65.05,-15.29,;63.72,-17.6,;63.72,-12.98,;63.72,-11.44,;65.07,-13.73,;66.42,-12.97,;67.77,-13.74,;67.76,-15.28,;69.1,-16.05,;69.09,-17.59,;66.43,-11.43,;65.09,-10.66,;67.76,-10.64,;67.76,-9.09,;66.42,-8.32,;66.42,-6.78,;67.76,-6.01,;67.77,-4.46,;69.11,-3.69,;70.44,-4.46,;69.11,-2.15,;69.09,-8.32,;69.09,-6.78,;70.42,-9.09,;70.58,-10.62,;72.09,-10.93,;72.86,-9.6,;71.82,-8.47,;72.15,-6.96,;71,-5.92,;73.62,-6.47,;73.66,-4.92,;72.35,-4.12,;72.39,-2.57,;71.07,-1.77,;71.11,-.22,;69.8,.6,;69.84,2.14,;68.44,-.14,;67.13,.68,;75.01,-4.19,;76.32,-5,;75.05,-2.64,;76.41,-1.91,;77.73,-2.71,;79.08,-1.98,;79.13,-.44,;80.39,-2.78,;76.46,-.36,;75.15,.45,;77.8,.37,;21.07,-11.48,;22.41,-10.72,;19.73,-10.71,)| Show InChI InChI=1S/C86H139N19O22/c1-7-9-12-26-70(108)96-52-58-27-31-59(32-28-58)74(112)101-64(81(119)120)35-36-71(109)92-39-18-42-124-44-46-126-47-45-125-43-19-40-93-72(110)53-127-54-73(111)97-66(49-56-29-33-60(106)34-30-56)78(116)104-86(5,51-57-20-13-11-14-21-57)83(123)103-65(48-55(3)4)77(115)98-61(22-10-8-2)75(113)100-63(24-16-37-94-84(88)89)80(118)105-41-17-25-68(105)79(117)99-62(23-15-38-95-85(90)91-6)76(114)102-67(82(121)122)50-69(87)107/h11,13-14,20-21,29-30,33-34,55,58-59,61-68,106H,7-10,12,15-19,22-28,31-32,35-54H2,1-6H3,(H2,87,107)(H,92,109)(H,93,110)(H,96,108)(H,97,111)(H,98,115)(H,99,117)(H,100,113)(H,101,112)(H,102,114)(H,103,123)(H,104,116)(H,119,120)(H,121,122)(H4,88,89,94)(H3,90,91,95)/t58-,59-,61?,62-,63-,64-,65-,66-,67-,68-,86?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262111
(CHEMBL4081819)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262075
(CHEMBL4105113)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C85H130N16O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-74(104)91-42-45-116-47-49-118-51-50-117-48-46-115-44-39-75(105)94-68(55-60-34-37-64(102)38-35-60)78(108)99-70(56-61-33-36-62-27-20-21-28-63(62)53-61)80(110)97-67(52-58(2)3)77(107)98-69(54-59-25-17-16-18-26-59)79(109)96-66(30-23-41-93-85(89)90)82(112)101-43-24-31-72(101)81(111)95-65(29-22-40-92-84(87)88)76(106)100-71(83(113)114)57-73(86)103/h16-18,20-21,25-28,33-38,53,58,65-72,102H,4-15,19,22-24,29-32,39-52,54-57H2,1-3H3,(H2,86,103)(H,91,104)(H,94,105)(H,95,111)(H,96,109)(H,97,110)(H,98,107)(H,99,108)(H,100,106)(H,113,114)(H4,87,88,92)(H4,89,90,93)/t65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262104
(CHEMBL4088810)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C102H159N27O21/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-47-127-49-51-128(52-50-127)60-86(136)115-64(4)87(137)125-80(61-130)95(145)118-73(42-43-83(103)133)90(140)126-81(62-131)96(146)117-71(32-24-44-111-100(105)106)88(138)114-59-85(135)116-76(56-66-37-40-70(132)41-38-66)92(142)123-78(57-67-36-39-68-30-21-22-31-69(68)54-67)94(144)121-75(53-63(2)3)91(141)122-77(55-65-28-19-18-20-29-65)93(143)120-74(34-26-46-113-102(109)110)98(148)129-48-27-35-82(129)97(147)119-72(33-25-45-112-101(107)108)89(139)124-79(99(149)150)58-84(104)134/h18-22,28-31,36-41,54,63-64,71-82,130-132H,5-17,23-27,32-35,42-53,55-62H2,1-4H3,(H2,103,133)(H2,104,134)(H,114,138)(H,115,136)(H,116,135)(H,117,146)(H,118,145)(H,119,147)(H,120,143)(H,121,144)(H,122,141)(H,123,142)(H,124,139)(H,125,137)(H,126,140)(H,149,150)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262110
(CHEMBL4070228)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:122.128,70.71,104.109,24.27,wD:30.31,118.124,133.139,58.58,93.97,85.88,21.20,(-2.47,-9.93,;-1.14,-10.71,;.19,-9.94,;1.53,-10.72,;2.87,-9.94,;4.2,-10.72,;5.54,-9.94,;6.87,-10.72,;8.2,-9.94,;9.54,-10.72,;10.87,-9.94,;12.21,-10.72,;13.54,-9.94,;14.88,-10.72,;16.21,-9.94,;17.54,-10.72,;18.88,-9.94,;20.22,-10.72,;20.21,-12.26,;21.56,-9.94,;22.89,-10.72,;24.22,-9.95,;25.55,-10.73,;26.9,-9.97,;26.89,-8.43,;25.57,-7.66,;24.24,-8.42,;28.22,-7.67,;28.23,-6.13,;29.55,-8.44,;30.89,-7.67,;32.22,-8.45,;33.56,-7.68,;34.89,-8.46,;34.89,-10,;36.23,-7.69,;37.56,-8.45,;38.9,-7.68,;40.22,-8.45,;41.56,-7.68,;42.89,-8.45,;44.23,-7.68,;45.55,-8.45,;46.89,-7.68,;48.21,-8.45,;49.55,-7.68,;50.88,-8.45,;52.22,-7.68,;53.54,-8.45,;54.88,-7.68,;56.2,-8.45,;56.2,-9.99,;57.54,-7.68,;58.88,-8.44,;60.2,-7.65,;61.54,-8.4,;61.56,-9.94,;62.86,-7.62,;64.2,-8.4,;64.2,-9.94,;65.53,-10.7,;66.87,-9.94,;68.2,-10.7,;68.21,-12.25,;69.55,-12.99,;66.86,-13.01,;65.54,-12.24,;65.54,-7.62,;65.53,-6.08,;66.86,-8.39,;68.21,-7.62,;68.2,-6.08,;69.54,-5.32,;70.87,-6.09,;72.21,-5.32,;72.21,-3.78,;73.54,-3.02,;73.55,-1.48,;72.21,-.7,;70.87,-1.47,;70.87,-3,;69.54,-3.78,;69.53,-8.39,;69.54,-9.94,;70.87,-7.63,;72.2,-8.39,;72.21,-9.93,;73.54,-10.7,;74.87,-9.94,;73.54,-12.25,;73.54,-7.63,;73.54,-6.09,;74.89,-8.38,;76.24,-7.62,;77.58,-8.39,;77.58,-9.93,;78.92,-10.7,;78.92,-12.24,;77.58,-13.01,;76.24,-12.24,;76.24,-10.69,;76.24,-6.08,;74.91,-5.31,;77.58,-5.29,;77.58,-3.74,;76.24,-2.97,;76.24,-1.43,;77.57,-.66,;77.58,.9,;78.93,1.67,;80.26,.91,;78.93,3.21,;78.91,-2.97,;78.91,-1.43,;80.24,-3.74,;80.4,-5.27,;81.9,-5.58,;82.67,-4.25,;81.64,-3.12,;81.97,-1.61,;80.82,-.57,;83.44,-1.12,;83.48,.44,;82.17,1.24,;82.21,2.78,;80.89,3.58,;80.93,5.14,;79.62,5.96,;78.26,5.22,;79.66,7.49,;84.83,1.17,;86.13,.36,;84.87,2.72,;86.23,3.45,;87.55,2.65,;88.9,3.38,;88.94,4.92,;90.21,2.57,;86.27,5,;84.96,5.8,;87.62,5.73,;30.89,-6.13,;32.23,-5.37,;29.56,-5.35,)| Show InChI InChI=1S/C103H159N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-88(125)113-66-72-37-43-75(44-38-72)92(129)117-80(100(137)138)47-48-89(126)109-51-27-54-141-56-58-143-59-57-142-55-28-52-110-90(127)67-144-68-91(128)114-82(63-71-40-45-77(123)46-41-71)95(132)120-84(64-73-39-42-74-31-22-23-32-76(74)61-73)97(134)118-81(60-69(2)3)94(131)119-83(62-70-29-19-18-20-30-70)96(133)116-79(34-25-50-112-103(107)108)99(136)122-53-26-35-86(122)98(135)115-78(33-24-49-111-102(105)106)93(130)121-85(101(139)140)65-87(104)124/h18-20,22-23,29-32,39-42,45-46,61,69,72,75,78-86,123H,4-17,21,24-28,33-38,43-44,47-60,62-68H2,1-3H3,(H2,104,124)(H,109,126)(H,110,127)(H,113,125)(H,114,128)(H,115,135)(H,116,133)(H,117,129)(H,118,134)(H,119,131)(H,120,132)(H,121,130)(H,137,138)(H,139,140)(H4,105,106,111)(H4,107,108,112)/t72-,75-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262120
(CHEMBL4083670)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:116.120,98.101,24.27,wD:30.31,112.116,128.132,58.58,82.84,21.20,(-25.37,-15.68,;-24.04,-16.46,;-22.7,-15.69,;-21.36,-16.47,;-20.03,-15.69,;-18.69,-16.47,;-17.36,-15.69,;-16.03,-16.47,;-14.69,-15.69,;-13.36,-16.47,;-12.02,-15.69,;-10.69,-16.47,;-9.35,-15.69,;-8.01,-16.47,;-6.69,-15.69,;-5.35,-16.47,;-4.02,-15.69,;-2.68,-16.47,;-2.69,-18.01,;-1.35,-15.69,;-.01,-16.47,;1.33,-15.7,;2.66,-16.48,;4,-15.72,;3.99,-14.18,;2.67,-13.41,;1.34,-14.17,;5.33,-13.42,;5.33,-11.88,;6.66,-14.19,;7.99,-13.42,;9.33,-14.2,;10.66,-13.43,;12,-14.21,;11.99,-15.75,;13.34,-13.44,;14.67,-14.2,;16,-13.43,;17.33,-14.2,;18.66,-13.43,;20,-14.2,;21.33,-13.43,;22.66,-14.2,;23.99,-13.43,;25.32,-14.2,;26.65,-13.43,;27.99,-14.2,;29.32,-13.43,;30.65,-14.2,;31.98,-13.43,;33.31,-14.2,;33.31,-15.74,;34.64,-13.43,;35.99,-14.19,;37.31,-13.4,;38.65,-14.15,;38.67,-15.69,;39.97,-13.37,;41.3,-14.14,;41.31,-15.69,;42.64,-16.45,;43.97,-15.69,;45.31,-16.45,;45.31,-18,;46.65,-18.74,;43.97,-18.76,;42.64,-17.99,;42.64,-13.37,;42.64,-11.83,;43.97,-14.14,;45.31,-13.37,;43.97,-12.6,;45.31,-11.83,;46.64,-11.07,;47.98,-11.84,;49.31,-11.07,;49.31,-9.53,;47.98,-8.75,;46.64,-9.53,;46.64,-14.14,;46.64,-15.69,;47.98,-13.38,;49.31,-14.14,;49.32,-15.68,;50.64,-16.45,;51.98,-15.69,;50.64,-18,;50.64,-13.38,;50.65,-11.84,;52,-14.13,;53.35,-13.37,;54.69,-14.14,;54.69,-15.68,;56.02,-16.45,;56.02,-17.98,;53.35,-11.83,;52.02,-11.06,;54.69,-11.04,;54.68,-9.49,;53.34,-8.72,;53.34,-7.18,;54.68,-6.41,;54.69,-4.86,;56.03,-4.09,;57.37,-4.85,;56.04,-2.55,;56.01,-8.72,;56.01,-7.18,;57.35,-9.49,;57.51,-11.02,;59.01,-11.33,;59.78,-10,;58.75,-8.86,;59.07,-7.36,;57.92,-6.32,;60.54,-6.87,;60.58,-5.32,;59.27,-4.52,;59.32,-2.97,;58,-2.17,;58.04,-.62,;56.72,.21,;56.76,1.74,;55.37,-.54,;54.06,.28,;61.93,-4.59,;63.24,-5.39,;61.97,-3.04,;63.34,-2.3,;64.65,-3.1,;66,-2.37,;66.05,-.84,;67.31,-3.18,;63.38,-.76,;62.07,.05,;64.73,-.02,;8,-11.88,;9.33,-11.12,;6.66,-11.1,)| Show InChI InChI=1S/C98H163N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-38-82(120)108-64-70-39-43-71(44-40-70)86(124)113-76(93(131)132)47-48-83(121)104-51-30-54-136-56-58-138-59-57-137-55-31-52-105-84(122)65-139-66-85(123)109-78(61-68-41-45-72(118)46-42-68)90(128)116-98(5,63-69-32-24-23-25-33-69)95(135)115-77(60-67(3)4)89(127)110-73(34-10-8-2)87(125)112-75(36-28-49-106-96(100)101)92(130)117-53-29-37-80(117)91(129)111-74(35-27-50-107-97(102)103-6)88(126)114-79(94(133)134)62-81(99)119/h23-25,32-33,41-42,45-46,67,70-71,73-80,118H,7-22,26-31,34-40,43-44,47-66H2,1-6H3,(H2,99,119)(H,104,121)(H,105,122)(H,108,120)(H,109,123)(H,110,127)(H,111,129)(H,112,125)(H,113,124)(H,114,126)(H,115,135)(H,116,128)(H,131,132)(H,133,134)(H4,100,101,106)(H3,102,103,107)/t70-,71-,73?,74-,75-,76-,77-,78-,79-,80-,98?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262075
(CHEMBL4105113)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C85H130N16O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-74(104)91-42-45-116-47-49-118-51-50-117-48-46-115-44-39-75(105)94-68(55-60-34-37-64(102)38-35-60)78(108)99-70(56-61-33-36-62-27-20-21-28-63(62)53-61)80(110)97-67(52-58(2)3)77(107)98-69(54-59-25-17-16-18-26-59)79(109)96-66(30-23-41-93-85(89)90)82(112)101-43-24-31-72(101)81(111)95-65(29-22-40-92-84(87)88)76(106)100-71(83(113)114)57-73(86)103/h16-18,20-21,25-28,33-38,53,58,65-72,102H,4-15,19,22-24,29-32,39-52,54-57H2,1-3H3,(H2,86,103)(H,91,104)(H,94,105)(H,95,111)(H,96,109)(H,97,110)(H,98,107)(H,99,108)(H,100,106)(H,113,114)(H4,87,88,92)(H4,89,90,93)/t65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262104
(CHEMBL4088810)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C102H159N27O21/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-47-127-49-51-128(52-50-127)60-86(136)115-64(4)87(137)125-80(61-130)95(145)118-73(42-43-83(103)133)90(140)126-81(62-131)96(146)117-71(32-24-44-111-100(105)106)88(138)114-59-85(135)116-76(56-66-37-40-70(132)41-38-66)92(142)123-78(57-67-36-39-68-30-21-22-31-69(68)54-67)94(144)121-75(53-63(2)3)91(141)122-77(55-65-28-19-18-20-29-65)93(143)120-74(34-26-46-113-102(109)110)98(148)129-48-27-35-82(129)97(147)119-72(33-25-45-112-101(107)108)89(139)124-79(99(149)150)58-84(104)134/h18-22,28-31,36-41,54,63-64,71-82,130-132H,5-17,23-27,32-35,42-53,55-62H2,1-4H3,(H2,103,133)(H2,104,134)(H,114,138)(H,115,136)(H,116,135)(H,117,146)(H,118,145)(H,119,147)(H,120,143)(H,121,144)(H,122,141)(H,123,142)(H,124,139)(H,125,137)(H,126,140)(H,149,150)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262101
(CHEMBL4076016)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C82H124N18O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-98-43-45-99(46-44-98)54-72(104)90-53-71(103)91-65(50-57-34-37-61(101)38-35-57)75(107)96-67(51-58-33-36-59-28-20-21-29-60(59)48-58)77(109)94-64(47-55(2)3)74(106)95-66(49-56-26-18-17-19-27-56)76(108)93-63(31-24-40-89-82(86)87)79(111)100-42-25-32-69(100)78(110)92-62(30-23-39-88-81(84)85)73(105)97-68(80(112)113)52-70(83)102/h17-21,26-29,33-38,48,55,62-69,101H,4-16,22-25,30-32,39-47,49-54H2,1-3H3,(H2,83,102)(H,90,104)(H,91,103)(H,92,110)(H,93,108)(H,94,109)(H,95,106)(H,96,107)(H,97,105)(H,112,113)(H4,84,85,88)(H4,86,87,89)/t62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262101
(CHEMBL4076016)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C82H124N18O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-98-43-45-99(46-44-98)54-72(104)90-53-71(103)91-65(50-57-34-37-61(101)38-35-57)75(107)96-67(51-58-33-36-59-28-20-21-29-60(59)48-58)77(109)94-64(47-55(2)3)74(106)95-66(49-56-26-18-17-19-27-56)76(108)93-63(31-24-40-89-82(86)87)79(111)100-42-25-32-69(100)78(110)92-62(30-23-39-88-81(84)85)73(105)97-68(80(112)113)52-70(83)102/h17-21,26-29,33-38,48,55,62-69,101H,4-16,22-25,30-32,39-47,49-54H2,1-3H3,(H2,83,102)(H,90,104)(H,91,103)(H,92,110)(H,93,108)(H,94,109)(H,95,106)(H,96,107)(H,97,105)(H,112,113)(H4,84,85,88)(H4,86,87,89)/t62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262118
(CHEMBL4094147)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C88H136N22O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-108-46-48-109(49-47-108)57-76(114)100-65(31-23-41-96-86(90)91)77(115)99-56-75(113)101-69(53-60-36-39-64(111)40-37-60)80(118)106-71(54-61-35-38-62-29-20-21-30-63(62)51-61)82(120)104-68(50-58(2)3)79(117)105-70(52-59-27-18-17-19-28-59)81(119)103-67(33-25-43-98-88(94)95)84(122)110-45-26-34-73(110)83(121)102-66(32-24-42-97-87(92)93)78(116)107-72(85(123)124)55-74(89)112/h17-21,27-30,35-40,51,58,65-73,111H,4-16,22-26,31-34,41-50,52-57H2,1-3H3,(H2,89,112)(H,99,115)(H,100,114)(H,101,113)(H,102,121)(H,103,119)(H,104,120)(H,105,117)(H,106,118)(H,107,116)(H,123,124)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262077
(CHEMBL4103826)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C99H154N26O20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-123-48-50-124(51-49-123)59-84(132)113-78(60-126)92(140)115-71(41-42-81(100)129)87(135)122-79(61-127)93(141)114-69(31-23-43-108-97(102)103)85(133)111-58-83(131)112-74(55-64-36-39-68(128)40-37-64)89(137)120-76(56-65-35-38-66-29-20-21-30-67(66)53-65)91(139)118-73(52-62(2)3)88(136)119-75(54-63-27-18-17-19-28-63)90(138)117-72(33-25-45-110-99(106)107)95(143)125-47-26-34-80(125)94(142)116-70(32-24-44-109-98(104)105)86(134)121-77(96(144)145)57-82(101)130/h17-21,27-30,35-40,53,62,69-80,126-128H,4-16,22-26,31-34,41-52,54-61H2,1-3H3,(H2,100,129)(H2,101,130)(H,111,133)(H,112,131)(H,113,132)(H,114,141)(H,115,140)(H,116,142)(H,117,138)(H,118,139)(H,119,136)(H,120,137)(H,121,134)(H,122,135)(H,144,145)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262102
(CHEMBL4073508)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C91H141N23O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-112-46-48-113(49-47-112)57-78(119)104-74(58-115)85(126)105-66(31-23-41-99-89(93)94)79(120)102-56-77(118)103-70(53-61-36-39-65(116)40-37-61)82(123)110-72(54-62-35-38-63-29-20-21-30-64(63)51-62)84(125)108-69(50-59(2)3)81(122)109-71(52-60-27-18-17-19-28-60)83(124)107-68(33-25-43-101-91(97)98)87(128)114-45-26-34-75(114)86(127)106-67(32-24-42-100-90(95)96)80(121)111-73(88(129)130)55-76(92)117/h17-21,27-30,35-40,51,59,66-75,115-116H,4-16,22-26,31-34,41-50,52-58H2,1-3H3,(H2,92,117)(H,102,120)(H,103,118)(H,104,119)(H,105,126)(H,106,127)(H,107,124)(H,108,125)(H,109,122)(H,110,123)(H,111,121)(H,129,130)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262110
(CHEMBL4070228)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:122.128,70.71,104.109,24.27,wD:30.31,118.124,133.139,58.58,93.97,85.88,21.20,(-2.47,-9.93,;-1.14,-10.71,;.19,-9.94,;1.53,-10.72,;2.87,-9.94,;4.2,-10.72,;5.54,-9.94,;6.87,-10.72,;8.2,-9.94,;9.54,-10.72,;10.87,-9.94,;12.21,-10.72,;13.54,-9.94,;14.88,-10.72,;16.21,-9.94,;17.54,-10.72,;18.88,-9.94,;20.22,-10.72,;20.21,-12.26,;21.56,-9.94,;22.89,-10.72,;24.22,-9.95,;25.55,-10.73,;26.9,-9.97,;26.89,-8.43,;25.57,-7.66,;24.24,-8.42,;28.22,-7.67,;28.23,-6.13,;29.55,-8.44,;30.89,-7.67,;32.22,-8.45,;33.56,-7.68,;34.89,-8.46,;34.89,-10,;36.23,-7.69,;37.56,-8.45,;38.9,-7.68,;40.22,-8.45,;41.56,-7.68,;42.89,-8.45,;44.23,-7.68,;45.55,-8.45,;46.89,-7.68,;48.21,-8.45,;49.55,-7.68,;50.88,-8.45,;52.22,-7.68,;53.54,-8.45,;54.88,-7.68,;56.2,-8.45,;56.2,-9.99,;57.54,-7.68,;58.88,-8.44,;60.2,-7.65,;61.54,-8.4,;61.56,-9.94,;62.86,-7.62,;64.2,-8.4,;64.2,-9.94,;65.53,-10.7,;66.87,-9.94,;68.2,-10.7,;68.21,-12.25,;69.55,-12.99,;66.86,-13.01,;65.54,-12.24,;65.54,-7.62,;65.53,-6.08,;66.86,-8.39,;68.21,-7.62,;68.2,-6.08,;69.54,-5.32,;70.87,-6.09,;72.21,-5.32,;72.21,-3.78,;73.54,-3.02,;73.55,-1.48,;72.21,-.7,;70.87,-1.47,;70.87,-3,;69.54,-3.78,;69.53,-8.39,;69.54,-9.94,;70.87,-7.63,;72.2,-8.39,;72.21,-9.93,;73.54,-10.7,;74.87,-9.94,;73.54,-12.25,;73.54,-7.63,;73.54,-6.09,;74.89,-8.38,;76.24,-7.62,;77.58,-8.39,;77.58,-9.93,;78.92,-10.7,;78.92,-12.24,;77.58,-13.01,;76.24,-12.24,;76.24,-10.69,;76.24,-6.08,;74.91,-5.31,;77.58,-5.29,;77.58,-3.74,;76.24,-2.97,;76.24,-1.43,;77.57,-.66,;77.58,.9,;78.93,1.67,;80.26,.91,;78.93,3.21,;78.91,-2.97,;78.91,-1.43,;80.24,-3.74,;80.4,-5.27,;81.9,-5.58,;82.67,-4.25,;81.64,-3.12,;81.97,-1.61,;80.82,-.57,;83.44,-1.12,;83.48,.44,;82.17,1.24,;82.21,2.78,;80.89,3.58,;80.93,5.14,;79.62,5.96,;78.26,5.22,;79.66,7.49,;84.83,1.17,;86.13,.36,;84.87,2.72,;86.23,3.45,;87.55,2.65,;88.9,3.38,;88.94,4.92,;90.21,2.57,;86.27,5,;84.96,5.8,;87.62,5.73,;30.89,-6.13,;32.23,-5.37,;29.56,-5.35,)| Show InChI InChI=1S/C103H159N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-88(125)113-66-72-37-43-75(44-38-72)92(129)117-80(100(137)138)47-48-89(126)109-51-27-54-141-56-58-143-59-57-142-55-28-52-110-90(127)67-144-68-91(128)114-82(63-71-40-45-77(123)46-41-71)95(132)120-84(64-73-39-42-74-31-22-23-32-76(74)61-73)97(134)118-81(60-69(2)3)94(131)119-83(62-70-29-19-18-20-30-70)96(133)116-79(34-25-50-112-103(107)108)99(136)122-53-26-35-86(122)98(135)115-78(33-24-49-111-102(105)106)93(130)121-85(101(139)140)65-87(104)124/h18-20,22-23,29-32,39-42,45-46,61,69,72,75,78-86,123H,4-17,21,24-28,33-38,43-44,47-60,62-68H2,1-3H3,(H2,104,124)(H,109,126)(H,110,127)(H,113,125)(H,114,128)(H,115,135)(H,116,133)(H,117,129)(H,118,134)(H,119,131)(H,120,132)(H,121,130)(H,137,138)(H,139,140)(H4,105,106,111)(H4,107,108,112)/t72-,75-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262112
(CHEMBL4092080)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)| Show InChI InChI=1S/C97H167N19O22/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-82(119)107-63-69-38-42-70(43-39-69)86(123)112-75(94(131)132)46-47-83(120)103-50-29-53-135-55-57-137-58-56-136-54-30-51-104-84(121)64-138-65-85(122)108-77(61-68-40-44-71(117)45-41-68)90(127)114-78(60-67-31-23-22-24-32-67)91(128)113-76(59-66(3)4)89(126)109-72(33-9-7-2)87(124)111-74(35-27-48-105-96(99)100)93(130)116-52-28-36-80(116)92(129)110-73(34-26-49-106-97(101)102-5)88(125)115-79(95(133)134)62-81(98)118/h40-41,44-45,66-67,69-70,72-80,117H,6-39,42-43,46-65H2,1-5H3,(H2,98,118)(H,103,120)(H,104,121)(H,107,119)(H,108,122)(H,109,126)(H,110,129)(H,111,124)(H,112,123)(H,113,128)(H,114,127)(H,115,125)(H,131,132)(H,133,134)(H4,99,100,105)(H3,101,102,106)/t69-,70-,72?,73-,74-,75-,76-,77-,78?,79-,80-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50049425
(CHEMBL3356083)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262112
(CHEMBL4092080)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)| Show InChI InChI=1S/C97H167N19O22/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-82(119)107-63-69-38-42-70(43-39-69)86(123)112-75(94(131)132)46-47-83(120)103-50-29-53-135-55-57-137-58-56-136-54-30-51-104-84(121)64-138-65-85(122)108-77(61-68-40-44-71(117)45-41-68)90(127)114-78(60-67-31-23-22-24-32-67)91(128)113-76(59-66(3)4)89(126)109-72(33-9-7-2)87(124)111-74(35-27-48-105-96(99)100)93(130)116-52-28-36-80(116)92(129)110-73(34-26-49-106-97(101)102-5)88(125)115-79(95(133)134)62-81(98)118/h40-41,44-45,66-67,69-70,72-80,117H,6-39,42-43,46-65H2,1-5H3,(H2,98,118)(H,103,120)(H,104,121)(H,107,119)(H,108,122)(H,109,126)(H,110,129)(H,111,124)(H,112,123)(H,113,128)(H,114,127)(H,115,125)(H,131,132)(H,133,134)(H4,99,100,105)(H3,101,102,106)/t69-,70-,72?,73-,74-,75-,76-,77-,78?,79-,80-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262077
(CHEMBL4103826)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C99H154N26O20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-123-48-50-124(51-49-123)59-84(132)113-78(60-126)92(140)115-71(41-42-81(100)129)87(135)122-79(61-127)93(141)114-69(31-23-43-108-97(102)103)85(133)111-58-83(131)112-74(55-64-36-39-68(128)40-37-64)89(137)120-76(56-65-35-38-66-29-20-21-30-67(66)53-65)91(139)118-73(52-62(2)3)88(136)119-75(54-63-27-18-17-19-28-63)90(138)117-72(33-25-45-110-99(106)107)95(143)125-47-26-34-80(125)94(142)116-70(32-24-44-109-98(104)105)86(134)121-77(96(144)145)57-82(101)130/h17-21,27-30,35-40,53,62,69-80,126-128H,4-16,22-26,31-34,41-52,54-61H2,1-3H3,(H2,100,129)(H2,101,130)(H,111,133)(H,112,131)(H,113,132)(H,114,141)(H,115,140)(H,116,142)(H,117,138)(H,118,139)(H,119,136)(H,120,137)(H,121,134)(H,122,135)(H,144,145)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262119
(CHEMBL4097408)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)| Show InChI InChI=1S/C101H155N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-86(123)111-64-70-35-41-73(42-36-70)90(127)115-78(98(135)136)45-46-87(124)107-49-25-52-139-54-56-141-57-55-140-53-26-50-108-88(125)65-142-66-89(126)112-80(61-69-38-43-75(121)44-39-69)93(130)118-82(62-71-37-40-72-29-20-21-30-74(72)59-71)95(132)116-79(58-67(2)3)92(129)117-81(60-68-27-17-16-18-28-68)94(131)114-77(32-23-48-110-101(105)106)97(134)120-51-24-33-84(120)96(133)113-76(31-22-47-109-100(103)104)91(128)119-83(99(137)138)63-85(102)122/h16-18,20-21,27-30,37-40,43-44,59,67,70,73,76-84,121H,4-15,19,22-26,31-36,41-42,45-58,60-66H2,1-3H3,(H2,102,122)(H,107,124)(H,108,125)(H,111,123)(H,112,126)(H,113,133)(H,114,131)(H,115,127)(H,116,132)(H,117,129)(H,118,130)(H,119,128)(H,135,136)(H,137,138)(H4,103,104,109)(H4,105,106,110)/t70-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262119
(CHEMBL4097408)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)| Show InChI InChI=1S/C101H155N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-86(123)111-64-70-35-41-73(42-36-70)90(127)115-78(98(135)136)45-46-87(124)107-49-25-52-139-54-56-141-57-55-140-53-26-50-108-88(125)65-142-66-89(126)112-80(61-69-38-43-75(121)44-39-69)93(130)118-82(62-71-37-40-72-29-20-21-30-74(72)59-71)95(132)116-79(58-67(2)3)92(129)117-81(60-68-27-17-16-18-28-68)94(131)114-77(32-23-48-110-101(105)106)97(134)120-51-24-33-84(120)96(133)113-76(31-22-47-109-100(103)104)91(128)119-83(99(137)138)63-85(102)122/h16-18,20-21,27-30,37-40,43-44,59,67,70,73,76-84,121H,4-15,19,22-26,31-36,41-42,45-58,60-66H2,1-3H3,(H2,102,122)(H,107,124)(H,108,125)(H,111,123)(H,112,126)(H,113,133)(H,114,131)(H,115,127)(H,116,132)(H,117,129)(H,118,130)(H,119,128)(H,135,136)(H,137,138)(H4,103,104,109)(H4,105,106,110)/t70-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262098
(CHEMBL4061906)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)| Show InChI InChI=1S/C96H159N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-24-36-80(118)106-62-68-37-41-69(42-38-68)84(122)111-74(91(129)130)45-46-81(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-82(120)63-137-64-83(121)107-76(59-66-39-43-70(116)44-40-66)88(126)114-96(5,61-67-30-22-21-23-31-67)93(133)113-75(58-65(3)4)87(125)108-71(32-10-8-2)85(123)110-73(34-26-47-104-94(98)99)90(128)115-51-27-35-78(115)89(127)109-72(33-25-48-105-95(100)101-6)86(124)112-77(92(131)132)60-79(97)117/h21-23,30-31,39-40,43-44,65,68-69,71-78,116H,7-20,24-29,32-38,41-42,45-64H2,1-6H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,127)(H,110,123)(H,111,122)(H,112,124)(H,113,133)(H,114,126)(H,129,130)(H,131,132)(H4,98,99,104)(H3,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77-,78-,96?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262110
(CHEMBL4070228)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:122.128,70.71,104.109,24.27,wD:30.31,118.124,133.139,58.58,93.97,85.88,21.20,(-2.47,-9.93,;-1.14,-10.71,;.19,-9.94,;1.53,-10.72,;2.87,-9.94,;4.2,-10.72,;5.54,-9.94,;6.87,-10.72,;8.2,-9.94,;9.54,-10.72,;10.87,-9.94,;12.21,-10.72,;13.54,-9.94,;14.88,-10.72,;16.21,-9.94,;17.54,-10.72,;18.88,-9.94,;20.22,-10.72,;20.21,-12.26,;21.56,-9.94,;22.89,-10.72,;24.22,-9.95,;25.55,-10.73,;26.9,-9.97,;26.89,-8.43,;25.57,-7.66,;24.24,-8.42,;28.22,-7.67,;28.23,-6.13,;29.55,-8.44,;30.89,-7.67,;32.22,-8.45,;33.56,-7.68,;34.89,-8.46,;34.89,-10,;36.23,-7.69,;37.56,-8.45,;38.9,-7.68,;40.22,-8.45,;41.56,-7.68,;42.89,-8.45,;44.23,-7.68,;45.55,-8.45,;46.89,-7.68,;48.21,-8.45,;49.55,-7.68,;50.88,-8.45,;52.22,-7.68,;53.54,-8.45,;54.88,-7.68,;56.2,-8.45,;56.2,-9.99,;57.54,-7.68,;58.88,-8.44,;60.2,-7.65,;61.54,-8.4,;61.56,-9.94,;62.86,-7.62,;64.2,-8.4,;64.2,-9.94,;65.53,-10.7,;66.87,-9.94,;68.2,-10.7,;68.21,-12.25,;69.55,-12.99,;66.86,-13.01,;65.54,-12.24,;65.54,-7.62,;65.53,-6.08,;66.86,-8.39,;68.21,-7.62,;68.2,-6.08,;69.54,-5.32,;70.87,-6.09,;72.21,-5.32,;72.21,-3.78,;73.54,-3.02,;73.55,-1.48,;72.21,-.7,;70.87,-1.47,;70.87,-3,;69.54,-3.78,;69.53,-8.39,;69.54,-9.94,;70.87,-7.63,;72.2,-8.39,;72.21,-9.93,;73.54,-10.7,;74.87,-9.94,;73.54,-12.25,;73.54,-7.63,;73.54,-6.09,;74.89,-8.38,;76.24,-7.62,;77.58,-8.39,;77.58,-9.93,;78.92,-10.7,;78.92,-12.24,;77.58,-13.01,;76.24,-12.24,;76.24,-10.69,;76.24,-6.08,;74.91,-5.31,;77.58,-5.29,;77.58,-3.74,;76.24,-2.97,;76.24,-1.43,;77.57,-.66,;77.58,.9,;78.93,1.67,;80.26,.91,;78.93,3.21,;78.91,-2.97,;78.91,-1.43,;80.24,-3.74,;80.4,-5.27,;81.9,-5.58,;82.67,-4.25,;81.64,-3.12,;81.97,-1.61,;80.82,-.57,;83.44,-1.12,;83.48,.44,;82.17,1.24,;82.21,2.78,;80.89,3.58,;80.93,5.14,;79.62,5.96,;78.26,5.22,;79.66,7.49,;84.83,1.17,;86.13,.36,;84.87,2.72,;86.23,3.45,;87.55,2.65,;88.9,3.38,;88.94,4.92,;90.21,2.57,;86.27,5,;84.96,5.8,;87.62,5.73,;30.89,-6.13,;32.23,-5.37,;29.56,-5.35,)| Show InChI InChI=1S/C103H159N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-88(125)113-66-72-37-43-75(44-38-72)92(129)117-80(100(137)138)47-48-89(126)109-51-27-54-141-56-58-143-59-57-142-55-28-52-110-90(127)67-144-68-91(128)114-82(63-71-40-45-77(123)46-41-71)95(132)120-84(64-73-39-42-74-31-22-23-32-76(74)61-73)97(134)118-81(60-69(2)3)94(131)119-83(62-70-29-19-18-20-30-70)96(133)116-79(34-25-50-112-103(107)108)99(136)122-53-26-35-86(122)98(135)115-78(33-24-49-111-102(105)106)93(130)121-85(101(139)140)65-87(104)124/h18-20,22-23,29-32,39-42,45-46,61,69,72,75,78-86,123H,4-17,21,24-28,33-38,43-44,47-60,62-68H2,1-3H3,(H2,104,124)(H,109,126)(H,110,127)(H,113,125)(H,114,128)(H,115,135)(H,116,133)(H,117,129)(H,118,134)(H,119,131)(H,120,132)(H,121,130)(H,137,138)(H,139,140)(H4,105,106,111)(H4,107,108,112)/t72-,75-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262076
(CHEMBL4087316)Show SMILES CCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:104.108,86.89,12.15,wD:18.19,100.104,116.120,46.46,70.72,9.8,(3.72,-15.29,;5.06,-16.07,;6.38,-15.29,;7.72,-16.07,;9.06,-15.29,;10.39,-16.07,;10.39,-17.62,;11.73,-15.3,;13.06,-16.07,;14.4,-15.31,;15.73,-16.08,;17.07,-15.32,;17.07,-13.78,;15.74,-13.01,;14.41,-13.77,;18.4,-13.02,;18.4,-11.48,;19.73,-13.79,;21.06,-13.02,;22.4,-13.8,;23.74,-13.03,;25.07,-13.81,;25.07,-15.35,;26.41,-13.04,;27.74,-13.81,;29.08,-13.04,;30.4,-13.81,;31.74,-13.04,;33.07,-13.81,;34.4,-13.04,;35.73,-13.81,;37.07,-13.04,;38.39,-13.81,;39.73,-13.04,;41.06,-13.81,;42.4,-13.04,;43.72,-13.81,;45.06,-13.04,;46.38,-13.81,;46.38,-15.34,;47.72,-13.04,;49.06,-13.79,;50.38,-13,;51.72,-13.76,;51.74,-15.29,;53.04,-12.97,;54.38,-13.75,;54.38,-15.29,;55.71,-16.06,;57.05,-15.29,;58.38,-16.06,;58.39,-17.6,;59.73,-18.34,;57.04,-18.36,;55.72,-17.6,;55.72,-12.97,;55.71,-11.43,;57.05,-13.74,;58.39,-12.98,;57.05,-12.2,;58.38,-11.44,;59.72,-10.67,;61.05,-11.44,;62.39,-10.67,;62.39,-9.13,;61.05,-8.36,;59.72,-9.13,;59.72,-13.74,;59.72,-15.29,;61.05,-12.98,;62.38,-13.75,;62.39,-15.29,;63.72,-16.05,;65.05,-15.29,;63.72,-17.6,;63.72,-12.98,;63.72,-11.44,;65.07,-13.73,;66.42,-12.97,;67.77,-13.74,;67.76,-15.28,;69.1,-16.05,;69.09,-17.59,;66.43,-11.43,;65.09,-10.66,;67.76,-10.64,;67.76,-9.09,;66.42,-8.32,;66.42,-6.78,;67.76,-6.01,;67.77,-4.46,;69.11,-3.69,;70.44,-4.46,;69.11,-2.15,;69.09,-8.32,;69.09,-6.78,;70.42,-9.09,;70.58,-10.62,;72.09,-10.93,;72.86,-9.6,;71.82,-8.47,;72.15,-6.96,;71,-5.92,;73.62,-6.47,;73.66,-4.92,;72.35,-4.12,;72.39,-2.57,;71.07,-1.77,;71.11,-.22,;69.8,.6,;69.84,2.14,;68.44,-.14,;67.13,.68,;75.01,-4.19,;76.32,-5,;75.05,-2.64,;76.41,-1.91,;77.73,-2.71,;79.08,-1.98,;79.13,-.44,;80.39,-2.78,;76.46,-.36,;75.15,.45,;77.8,.37,;21.07,-11.48,;22.41,-10.72,;19.73,-10.71,)| Show InChI InChI=1S/C86H139N19O22/c1-7-9-12-26-70(108)96-52-58-27-31-59(32-28-58)74(112)101-64(81(119)120)35-36-71(109)92-39-18-42-124-44-46-126-47-45-125-43-19-40-93-72(110)53-127-54-73(111)97-66(49-56-29-33-60(106)34-30-56)78(116)104-86(5,51-57-20-13-11-14-21-57)83(123)103-65(48-55(3)4)77(115)98-61(22-10-8-2)75(113)100-63(24-16-37-94-84(88)89)80(118)105-41-17-25-68(105)79(117)99-62(23-15-38-95-85(90)91-6)76(114)102-67(82(121)122)50-69(87)107/h11,13-14,20-21,29-30,33-34,55,58-59,61-68,106H,7-10,12,15-19,22-28,31-32,35-54H2,1-6H3,(H2,87,107)(H,92,109)(H,93,110)(H,96,108)(H,97,111)(H,98,115)(H,99,117)(H,100,113)(H,101,112)(H,102,114)(H,103,123)(H,104,116)(H,119,120)(H,121,122)(H4,88,89,94)(H3,90,91,95)/t58-,59-,61?,62-,63-,64-,65-,66-,67-,68-,86?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262110
(CHEMBL4070228)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:122.128,70.71,104.109,24.27,wD:30.31,118.124,133.139,58.58,93.97,85.88,21.20,(-2.47,-9.93,;-1.14,-10.71,;.19,-9.94,;1.53,-10.72,;2.87,-9.94,;4.2,-10.72,;5.54,-9.94,;6.87,-10.72,;8.2,-9.94,;9.54,-10.72,;10.87,-9.94,;12.21,-10.72,;13.54,-9.94,;14.88,-10.72,;16.21,-9.94,;17.54,-10.72,;18.88,-9.94,;20.22,-10.72,;20.21,-12.26,;21.56,-9.94,;22.89,-10.72,;24.22,-9.95,;25.55,-10.73,;26.9,-9.97,;26.89,-8.43,;25.57,-7.66,;24.24,-8.42,;28.22,-7.67,;28.23,-6.13,;29.55,-8.44,;30.89,-7.67,;32.22,-8.45,;33.56,-7.68,;34.89,-8.46,;34.89,-10,;36.23,-7.69,;37.56,-8.45,;38.9,-7.68,;40.22,-8.45,;41.56,-7.68,;42.89,-8.45,;44.23,-7.68,;45.55,-8.45,;46.89,-7.68,;48.21,-8.45,;49.55,-7.68,;50.88,-8.45,;52.22,-7.68,;53.54,-8.45,;54.88,-7.68,;56.2,-8.45,;56.2,-9.99,;57.54,-7.68,;58.88,-8.44,;60.2,-7.65,;61.54,-8.4,;61.56,-9.94,;62.86,-7.62,;64.2,-8.4,;64.2,-9.94,;65.53,-10.7,;66.87,-9.94,;68.2,-10.7,;68.21,-12.25,;69.55,-12.99,;66.86,-13.01,;65.54,-12.24,;65.54,-7.62,;65.53,-6.08,;66.86,-8.39,;68.21,-7.62,;68.2,-6.08,;69.54,-5.32,;70.87,-6.09,;72.21,-5.32,;72.21,-3.78,;73.54,-3.02,;73.55,-1.48,;72.21,-.7,;70.87,-1.47,;70.87,-3,;69.54,-3.78,;69.53,-8.39,;69.54,-9.94,;70.87,-7.63,;72.2,-8.39,;72.21,-9.93,;73.54,-10.7,;74.87,-9.94,;73.54,-12.25,;73.54,-7.63,;73.54,-6.09,;74.89,-8.38,;76.24,-7.62,;77.58,-8.39,;77.58,-9.93,;78.92,-10.7,;78.92,-12.24,;77.58,-13.01,;76.24,-12.24,;76.24,-10.69,;76.24,-6.08,;74.91,-5.31,;77.58,-5.29,;77.58,-3.74,;76.24,-2.97,;76.24,-1.43,;77.57,-.66,;77.58,.9,;78.93,1.67,;80.26,.91,;78.93,3.21,;78.91,-2.97,;78.91,-1.43,;80.24,-3.74,;80.4,-5.27,;81.9,-5.58,;82.67,-4.25,;81.64,-3.12,;81.97,-1.61,;80.82,-.57,;83.44,-1.12,;83.48,.44,;82.17,1.24,;82.21,2.78,;80.89,3.58,;80.93,5.14,;79.62,5.96,;78.26,5.22,;79.66,7.49,;84.83,1.17,;86.13,.36,;84.87,2.72,;86.23,3.45,;87.55,2.65,;88.9,3.38,;88.94,4.92,;90.21,2.57,;86.27,5,;84.96,5.8,;87.62,5.73,;30.89,-6.13,;32.23,-5.37,;29.56,-5.35,)| Show InChI InChI=1S/C103H159N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-88(125)113-66-72-37-43-75(44-38-72)92(129)117-80(100(137)138)47-48-89(126)109-51-27-54-141-56-58-143-59-57-142-55-28-52-110-90(127)67-144-68-91(128)114-82(63-71-40-45-77(123)46-41-71)95(132)120-84(64-73-39-42-74-31-22-23-32-76(74)61-73)97(134)118-81(60-69(2)3)94(131)119-83(62-70-29-19-18-20-30-70)96(133)116-79(34-25-50-112-103(107)108)99(136)122-53-26-35-86(122)98(135)115-78(33-24-49-111-102(105)106)93(130)121-85(101(139)140)65-87(104)124/h18-20,22-23,29-32,39-42,45-46,61,69,72,75,78-86,123H,4-17,21,24-28,33-38,43-44,47-60,62-68H2,1-3H3,(H2,104,124)(H,109,126)(H,110,127)(H,113,125)(H,114,128)(H,115,135)(H,116,133)(H,117,129)(H,118,134)(H,119,131)(H,120,132)(H,121,130)(H,137,138)(H,139,140)(H4,105,106,111)(H4,107,108,112)/t72-,75-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262076
(CHEMBL4087316)Show SMILES CCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:104.108,86.89,12.15,wD:18.19,100.104,116.120,46.46,70.72,9.8,(3.72,-15.29,;5.06,-16.07,;6.38,-15.29,;7.72,-16.07,;9.06,-15.29,;10.39,-16.07,;10.39,-17.62,;11.73,-15.3,;13.06,-16.07,;14.4,-15.31,;15.73,-16.08,;17.07,-15.32,;17.07,-13.78,;15.74,-13.01,;14.41,-13.77,;18.4,-13.02,;18.4,-11.48,;19.73,-13.79,;21.06,-13.02,;22.4,-13.8,;23.74,-13.03,;25.07,-13.81,;25.07,-15.35,;26.41,-13.04,;27.74,-13.81,;29.08,-13.04,;30.4,-13.81,;31.74,-13.04,;33.07,-13.81,;34.4,-13.04,;35.73,-13.81,;37.07,-13.04,;38.39,-13.81,;39.73,-13.04,;41.06,-13.81,;42.4,-13.04,;43.72,-13.81,;45.06,-13.04,;46.38,-13.81,;46.38,-15.34,;47.72,-13.04,;49.06,-13.79,;50.38,-13,;51.72,-13.76,;51.74,-15.29,;53.04,-12.97,;54.38,-13.75,;54.38,-15.29,;55.71,-16.06,;57.05,-15.29,;58.38,-16.06,;58.39,-17.6,;59.73,-18.34,;57.04,-18.36,;55.72,-17.6,;55.72,-12.97,;55.71,-11.43,;57.05,-13.74,;58.39,-12.98,;57.05,-12.2,;58.38,-11.44,;59.72,-10.67,;61.05,-11.44,;62.39,-10.67,;62.39,-9.13,;61.05,-8.36,;59.72,-9.13,;59.72,-13.74,;59.72,-15.29,;61.05,-12.98,;62.38,-13.75,;62.39,-15.29,;63.72,-16.05,;65.05,-15.29,;63.72,-17.6,;63.72,-12.98,;63.72,-11.44,;65.07,-13.73,;66.42,-12.97,;67.77,-13.74,;67.76,-15.28,;69.1,-16.05,;69.09,-17.59,;66.43,-11.43,;65.09,-10.66,;67.76,-10.64,;67.76,-9.09,;66.42,-8.32,;66.42,-6.78,;67.76,-6.01,;67.77,-4.46,;69.11,-3.69,;70.44,-4.46,;69.11,-2.15,;69.09,-8.32,;69.09,-6.78,;70.42,-9.09,;70.58,-10.62,;72.09,-10.93,;72.86,-9.6,;71.82,-8.47,;72.15,-6.96,;71,-5.92,;73.62,-6.47,;73.66,-4.92,;72.35,-4.12,;72.39,-2.57,;71.07,-1.77,;71.11,-.22,;69.8,.6,;69.84,2.14,;68.44,-.14,;67.13,.68,;75.01,-4.19,;76.32,-5,;75.05,-2.64,;76.41,-1.91,;77.73,-2.71,;79.08,-1.98,;79.13,-.44,;80.39,-2.78,;76.46,-.36,;75.15,.45,;77.8,.37,;21.07,-11.48,;22.41,-10.72,;19.73,-10.71,)| Show InChI InChI=1S/C86H139N19O22/c1-7-9-12-26-70(108)96-52-58-27-31-59(32-28-58)74(112)101-64(81(119)120)35-36-71(109)92-39-18-42-124-44-46-126-47-45-125-43-19-40-93-72(110)53-127-54-73(111)97-66(49-56-29-33-60(106)34-30-56)78(116)104-86(5,51-57-20-13-11-14-21-57)83(123)103-65(48-55(3)4)77(115)98-61(22-10-8-2)75(113)100-63(24-16-37-94-84(88)89)80(118)105-41-17-25-68(105)79(117)99-62(23-15-38-95-85(90)91-6)76(114)102-67(82(121)122)50-69(87)107/h11,13-14,20-21,29-30,33-34,55,58-59,61-68,106H,7-10,12,15-19,22-28,31-32,35-54H2,1-6H3,(H2,87,107)(H,92,109)(H,93,110)(H,96,108)(H,97,111)(H,98,115)(H,99,117)(H,100,113)(H,101,112)(H,102,114)(H,103,123)(H,104,116)(H,119,120)(H,121,122)(H4,88,89,94)(H3,90,91,95)/t58-,59-,61?,62-,63-,64-,65-,66-,67-,68-,86?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262111
(CHEMBL4081819)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262118
(CHEMBL4094147)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C88H136N22O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-108-46-48-109(49-47-108)57-76(114)100-65(31-23-41-96-86(90)91)77(115)99-56-75(113)101-69(53-60-36-39-64(111)40-37-60)80(118)106-71(54-61-35-38-62-29-20-21-30-63(62)51-61)82(120)104-68(50-58(2)3)79(117)105-70(52-59-27-18-17-19-28-59)81(119)103-67(33-25-43-98-88(94)95)84(122)110-45-26-34-73(110)83(121)102-66(32-24-42-97-87(92)93)78(116)107-72(85(123)124)55-74(89)112/h17-21,27-30,35-40,51,58,65-73,111H,4-16,22-26,31-34,41-50,52-57H2,1-3H3,(H2,89,112)(H,99,115)(H,100,114)(H,101,113)(H,102,121)(H,103,119)(H,104,120)(H,105,117)(H,106,118)(H,107,116)(H,123,124)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262103
(CHEMBL4079565)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C96H149N25O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-119-48-50-120(51-49-119)59-82(127)109-70(41-42-79(97)124)85(130)118-77(60-122)90(135)111-68(31-23-43-105-94(99)100)83(128)108-58-81(126)110-73(55-63-36-39-67(123)40-37-63)87(132)116-75(56-64-35-38-65-29-20-21-30-66(65)53-64)89(134)114-72(52-61(2)3)86(131)115-74(54-62-27-18-17-19-28-62)88(133)113-71(33-25-45-107-96(103)104)92(137)121-47-26-34-78(121)91(136)112-69(32-24-44-106-95(101)102)84(129)117-76(93(138)139)57-80(98)125/h17-21,27-30,35-40,53,61,68-78,122-123H,4-16,22-26,31-34,41-52,54-60H2,1-3H3,(H2,97,124)(H2,98,125)(H,108,128)(H,109,127)(H,110,126)(H,111,135)(H,112,136)(H,113,133)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,130)(H,138,139)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262116
(CHEMBL4060830)Show SMILES CCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)| Show InChI InChI=1S/C92H151N19O22/c1-7-9-11-12-13-14-15-16-20-32-76(114)102-58-64-33-37-65(38-34-64)80(118)107-70(87(125)126)41-42-77(115)98-45-24-48-130-50-52-132-53-51-131-49-25-46-99-78(116)59-133-60-79(117)103-72(55-62-35-39-66(112)40-36-62)84(122)110-92(5,57-63-26-18-17-19-27-63)89(129)109-71(54-61(3)4)83(121)104-67(28-10-8-2)81(119)106-69(30-22-43-100-90(94)95)86(124)111-47-23-31-74(111)85(123)105-68(29-21-44-101-91(96)97-6)82(120)108-73(88(127)128)56-75(93)113/h17-19,26-27,35-36,39-40,61,64-65,67-74,112H,7-16,20-25,28-34,37-38,41-60H2,1-6H3,(H2,93,113)(H,98,115)(H,99,116)(H,102,114)(H,103,117)(H,104,121)(H,105,123)(H,106,119)(H,107,118)(H,108,120)(H,109,129)(H,110,122)(H,125,126)(H,127,128)(H4,94,95,100)(H3,96,97,101)/t64-,65-,67?,68-,69-,70-,71-,72-,73-,74-,92?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262120
(CHEMBL4083670)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:116.120,98.101,24.27,wD:30.31,112.116,128.132,58.58,82.84,21.20,(-25.37,-15.68,;-24.04,-16.46,;-22.7,-15.69,;-21.36,-16.47,;-20.03,-15.69,;-18.69,-16.47,;-17.36,-15.69,;-16.03,-16.47,;-14.69,-15.69,;-13.36,-16.47,;-12.02,-15.69,;-10.69,-16.47,;-9.35,-15.69,;-8.01,-16.47,;-6.69,-15.69,;-5.35,-16.47,;-4.02,-15.69,;-2.68,-16.47,;-2.69,-18.01,;-1.35,-15.69,;-.01,-16.47,;1.33,-15.7,;2.66,-16.48,;4,-15.72,;3.99,-14.18,;2.67,-13.41,;1.34,-14.17,;5.33,-13.42,;5.33,-11.88,;6.66,-14.19,;7.99,-13.42,;9.33,-14.2,;10.66,-13.43,;12,-14.21,;11.99,-15.75,;13.34,-13.44,;14.67,-14.2,;16,-13.43,;17.33,-14.2,;18.66,-13.43,;20,-14.2,;21.33,-13.43,;22.66,-14.2,;23.99,-13.43,;25.32,-14.2,;26.65,-13.43,;27.99,-14.2,;29.32,-13.43,;30.65,-14.2,;31.98,-13.43,;33.31,-14.2,;33.31,-15.74,;34.64,-13.43,;35.99,-14.19,;37.31,-13.4,;38.65,-14.15,;38.67,-15.69,;39.97,-13.37,;41.3,-14.14,;41.31,-15.69,;42.64,-16.45,;43.97,-15.69,;45.31,-16.45,;45.31,-18,;46.65,-18.74,;43.97,-18.76,;42.64,-17.99,;42.64,-13.37,;42.64,-11.83,;43.97,-14.14,;45.31,-13.37,;43.97,-12.6,;45.31,-11.83,;46.64,-11.07,;47.98,-11.84,;49.31,-11.07,;49.31,-9.53,;47.98,-8.75,;46.64,-9.53,;46.64,-14.14,;46.64,-15.69,;47.98,-13.38,;49.31,-14.14,;49.32,-15.68,;50.64,-16.45,;51.98,-15.69,;50.64,-18,;50.64,-13.38,;50.65,-11.84,;52,-14.13,;53.35,-13.37,;54.69,-14.14,;54.69,-15.68,;56.02,-16.45,;56.02,-17.98,;53.35,-11.83,;52.02,-11.06,;54.69,-11.04,;54.68,-9.49,;53.34,-8.72,;53.34,-7.18,;54.68,-6.41,;54.69,-4.86,;56.03,-4.09,;57.37,-4.85,;56.04,-2.55,;56.01,-8.72,;56.01,-7.18,;57.35,-9.49,;57.51,-11.02,;59.01,-11.33,;59.78,-10,;58.75,-8.86,;59.07,-7.36,;57.92,-6.32,;60.54,-6.87,;60.58,-5.32,;59.27,-4.52,;59.32,-2.97,;58,-2.17,;58.04,-.62,;56.72,.21,;56.76,1.74,;55.37,-.54,;54.06,.28,;61.93,-4.59,;63.24,-5.39,;61.97,-3.04,;63.34,-2.3,;64.65,-3.1,;66,-2.37,;66.05,-.84,;67.31,-3.18,;63.38,-.76,;62.07,.05,;64.73,-.02,;8,-11.88,;9.33,-11.12,;6.66,-11.1,)| Show InChI InChI=1S/C98H163N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-38-82(120)108-64-70-39-43-71(44-40-70)86(124)113-76(93(131)132)47-48-83(121)104-51-30-54-136-56-58-138-59-57-137-55-31-52-105-84(122)65-139-66-85(123)109-78(61-68-41-45-72(118)46-42-68)90(128)116-98(5,63-69-32-24-23-25-33-69)95(135)115-77(60-67(3)4)89(127)110-73(34-10-8-2)87(125)112-75(36-28-49-106-96(100)101)92(130)117-53-29-37-80(117)91(129)111-74(35-27-50-107-97(102)103-6)88(126)114-79(94(133)134)62-81(99)119/h23-25,32-33,41-42,45-46,67,70-71,73-80,118H,7-22,26-31,34-40,43-44,47-66H2,1-6H3,(H2,99,119)(H,104,121)(H,105,122)(H,108,120)(H,109,123)(H,110,127)(H,111,129)(H,112,125)(H,113,124)(H,114,126)(H,115,135)(H,116,128)(H,131,132)(H,133,134)(H4,100,101,106)(H3,102,103,107)/t70-,71-,73?,74-,75-,76-,77-,78-,79-,80-,98?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262075
(CHEMBL4105113)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C85H130N16O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-74(104)91-42-45-116-47-49-118-51-50-117-48-46-115-44-39-75(105)94-68(55-60-34-37-64(102)38-35-60)78(108)99-70(56-61-33-36-62-27-20-21-28-63(62)53-61)80(110)97-67(52-58(2)3)77(107)98-69(54-59-25-17-16-18-26-59)79(109)96-66(30-23-41-93-85(89)90)82(112)101-43-24-31-72(101)81(111)95-65(29-22-40-92-84(87)88)76(106)100-71(83(113)114)57-73(86)103/h16-18,20-21,25-28,33-38,53,58,65-72,102H,4-15,19,22-24,29-32,39-52,54-57H2,1-3H3,(H2,86,103)(H,91,104)(H,94,105)(H,95,111)(H,96,109)(H,97,110)(H,98,107)(H,99,108)(H,100,106)(H,113,114)(H4,87,88,92)(H4,89,90,93)/t65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262117
(CHEMBL4067577)Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O |r,wU:103.107,85.88,68.69,wD:64.65,99.103,115.119,28.38,8.12,71.73,(74.22,-35,;74.23,-33.46,;72.89,-32.69,;72.9,-31.15,;71.55,-30.38,;70.2,-31.14,;68.85,-30.39,;68.85,-28.85,;67.51,-31.16,;67.52,-32.7,;68.85,-33.46,;70.18,-32.7,;68.85,-35.01,;66.18,-30.39,;64.84,-31.15,;64.84,-32.7,;63.52,-30.39,;62.17,-29.61,;63.51,-28.85,;64.85,-28.08,;66.18,-28.85,;67.52,-28.08,;67.52,-26.54,;66.18,-25.77,;64.85,-26.54,;62.17,-31.15,;60.85,-30.38,;60.84,-28.84,;59.51,-31.16,;59.51,-32.7,;60.84,-33.47,;62.17,-32.7,;63.51,-33.47,;63.51,-35.01,;64.86,-35.75,;62.17,-35.77,;60.84,-35.01,;58.17,-30.38,;56.85,-31.17,;56.87,-32.7,;55.51,-30.41,;54.19,-31.2,;52.84,-30.45,;51.51,-31.22,;51.51,-32.75,;50.18,-30.45,;48.85,-31.22,;47.52,-30.45,;46.19,-31.22,;44.85,-30.45,;43.52,-31.22,;42.19,-30.45,;40.86,-31.22,;39.53,-30.45,;38.19,-31.22,;36.86,-30.45,;35.53,-31.22,;34.2,-30.45,;32.86,-31.22,;31.53,-30.45,;30.2,-31.22,;30.19,-32.76,;28.86,-30.44,;27.52,-31.21,;26.19,-30.43,;24.85,-31.2,;23.52,-30.43,;23.52,-28.89,;22.19,-31.19,;22.19,-32.73,;20.85,-33.49,;19.52,-32.72,;18.19,-33.48,;16.86,-32.71,;15.51,-33.48,;14.18,-32.7,;15.51,-35.03,;19.53,-31.18,;20.86,-30.42,;26.19,-28.89,;27.53,-28.13,;24.86,-28.12,;71.55,-28.84,;70.22,-28.07,;72.89,-28.05,;72.89,-26.5,;71.55,-25.73,;71.55,-24.19,;72.89,-23.42,;72.89,-21.87,;74.24,-21.1,;75.57,-21.86,;74.24,-19.56,;74.22,-25.73,;74.22,-24.19,;75.55,-26.5,;75.71,-28.03,;77.21,-28.34,;77.99,-27.01,;76.95,-25.88,;77.28,-24.37,;76.13,-23.33,;78.75,-23.88,;78.79,-22.33,;77.48,-21.53,;77.52,-19.98,;76.2,-19.18,;76.24,-17.63,;74.93,-16.82,;74.97,-15.28,;73.57,-17.55,;72.26,-16.74,;80.14,-21.6,;81.45,-22.4,;80.18,-20.05,;81.54,-19.31,;82.86,-20.11,;84.21,-19.38,;84.26,-17.85,;85.52,-20.19,;81.59,-17.77,;80.28,-16.96,;82.93,-17.04,)| Show InChI InChI=1S/C82H131N19O22/c1-7-8-19-58(71(109)96-60(21-13-33-90-80(84)85)76(114)101-37-14-22-65(101)75(113)95-59(20-12-34-91-81(86)87-6)72(110)98-64(78(117)118)46-66(83)104)94-73(111)62(44-51(2)3)99-79(119)82(5,47-54-17-10-9-11-18-54)100-74(112)63(45-53-25-29-57(103)30-26-53)93-69(107)50-123-49-68(106)89-36-16-39-121-41-43-122-42-40-120-38-15-35-88-67(105)32-31-61(77(115)116)97-70(108)56-27-23-55(24-28-56)48-92-52(4)102/h9-11,17-18,25-26,29-30,51,55-56,58-65,103H,7-8,12-16,19-24,27-28,31-50H2,1-6H3,(H2,83,104)(H,88,105)(H,89,106)(H,92,102)(H,93,107)(H,94,111)(H,95,113)(H,96,109)(H,97,108)(H,98,110)(H,99,119)(H,100,112)(H,115,116)(H,117,118)(H4,84,85,90)(H3,86,87,91)/t55-,56-,58?,59-,60-,61-,62-,63-,64-,65-,82?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262104
(CHEMBL4088810)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C102H159N27O21/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-47-127-49-51-128(52-50-127)60-86(136)115-64(4)87(137)125-80(61-130)95(145)118-73(42-43-83(103)133)90(140)126-81(62-131)96(146)117-71(32-24-44-111-100(105)106)88(138)114-59-85(135)116-76(56-66-37-40-70(132)41-38-66)92(142)123-78(57-67-36-39-68-30-21-22-31-69(68)54-67)94(144)121-75(53-63(2)3)91(141)122-77(55-65-28-19-18-20-29-65)93(143)120-74(34-26-46-113-102(109)110)98(148)129-48-27-35-82(129)97(147)119-72(33-25-45-112-101(107)108)89(139)124-79(99(149)150)58-84(104)134/h18-22,28-31,36-41,54,63-64,71-82,130-132H,5-17,23-27,32-35,42-53,55-62H2,1-4H3,(H2,103,133)(H2,104,134)(H,114,138)(H,115,136)(H,116,135)(H,117,146)(H,118,145)(H,119,147)(H,120,143)(H,121,144)(H,122,141)(H,123,142)(H,124,139)(H,125,137)(H,126,140)(H,149,150)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262118
(CHEMBL4094147)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C88H136N22O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-108-46-48-109(49-47-108)57-76(114)100-65(31-23-41-96-86(90)91)77(115)99-56-75(113)101-69(53-60-36-39-64(111)40-37-60)80(118)106-71(54-61-35-38-62-29-20-21-30-63(62)51-61)82(120)104-68(50-58(2)3)79(117)105-70(52-59-27-18-17-19-28-59)81(119)103-67(33-25-43-98-88(94)95)84(122)110-45-26-34-73(110)83(121)102-66(32-24-42-97-87(92)93)78(116)107-72(85(123)124)55-74(89)112/h17-21,27-30,35-40,51,58,65-73,111H,4-16,22-26,31-34,41-50,52-57H2,1-3H3,(H2,89,112)(H,99,115)(H,100,114)(H,101,113)(H,102,121)(H,103,119)(H,104,120)(H,105,117)(H,106,118)(H,107,116)(H,123,124)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50049425
(CHEMBL3356083)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262120
(CHEMBL4083670)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:116.120,98.101,24.27,wD:30.31,112.116,128.132,58.58,82.84,21.20,(-25.37,-15.68,;-24.04,-16.46,;-22.7,-15.69,;-21.36,-16.47,;-20.03,-15.69,;-18.69,-16.47,;-17.36,-15.69,;-16.03,-16.47,;-14.69,-15.69,;-13.36,-16.47,;-12.02,-15.69,;-10.69,-16.47,;-9.35,-15.69,;-8.01,-16.47,;-6.69,-15.69,;-5.35,-16.47,;-4.02,-15.69,;-2.68,-16.47,;-2.69,-18.01,;-1.35,-15.69,;-.01,-16.47,;1.33,-15.7,;2.66,-16.48,;4,-15.72,;3.99,-14.18,;2.67,-13.41,;1.34,-14.17,;5.33,-13.42,;5.33,-11.88,;6.66,-14.19,;7.99,-13.42,;9.33,-14.2,;10.66,-13.43,;12,-14.21,;11.99,-15.75,;13.34,-13.44,;14.67,-14.2,;16,-13.43,;17.33,-14.2,;18.66,-13.43,;20,-14.2,;21.33,-13.43,;22.66,-14.2,;23.99,-13.43,;25.32,-14.2,;26.65,-13.43,;27.99,-14.2,;29.32,-13.43,;30.65,-14.2,;31.98,-13.43,;33.31,-14.2,;33.31,-15.74,;34.64,-13.43,;35.99,-14.19,;37.31,-13.4,;38.65,-14.15,;38.67,-15.69,;39.97,-13.37,;41.3,-14.14,;41.31,-15.69,;42.64,-16.45,;43.97,-15.69,;45.31,-16.45,;45.31,-18,;46.65,-18.74,;43.97,-18.76,;42.64,-17.99,;42.64,-13.37,;42.64,-11.83,;43.97,-14.14,;45.31,-13.37,;43.97,-12.6,;45.31,-11.83,;46.64,-11.07,;47.98,-11.84,;49.31,-11.07,;49.31,-9.53,;47.98,-8.75,;46.64,-9.53,;46.64,-14.14,;46.64,-15.69,;47.98,-13.38,;49.31,-14.14,;49.32,-15.68,;50.64,-16.45,;51.98,-15.69,;50.64,-18,;50.64,-13.38,;50.65,-11.84,;52,-14.13,;53.35,-13.37,;54.69,-14.14,;54.69,-15.68,;56.02,-16.45,;56.02,-17.98,;53.35,-11.83,;52.02,-11.06,;54.69,-11.04,;54.68,-9.49,;53.34,-8.72,;53.34,-7.18,;54.68,-6.41,;54.69,-4.86,;56.03,-4.09,;57.37,-4.85,;56.04,-2.55,;56.01,-8.72,;56.01,-7.18,;57.35,-9.49,;57.51,-11.02,;59.01,-11.33,;59.78,-10,;58.75,-8.86,;59.07,-7.36,;57.92,-6.32,;60.54,-6.87,;60.58,-5.32,;59.27,-4.52,;59.32,-2.97,;58,-2.17,;58.04,-.62,;56.72,.21,;56.76,1.74,;55.37,-.54,;54.06,.28,;61.93,-4.59,;63.24,-5.39,;61.97,-3.04,;63.34,-2.3,;64.65,-3.1,;66,-2.37,;66.05,-.84,;67.31,-3.18,;63.38,-.76,;62.07,.05,;64.73,-.02,;8,-11.88,;9.33,-11.12,;6.66,-11.1,)| Show InChI InChI=1S/C98H163N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-38-82(120)108-64-70-39-43-71(44-40-70)86(124)113-76(93(131)132)47-48-83(121)104-51-30-54-136-56-58-138-59-57-137-55-31-52-105-84(122)65-139-66-85(123)109-78(61-68-41-45-72(118)46-42-68)90(128)116-98(5,63-69-32-24-23-25-33-69)95(135)115-77(60-67(3)4)89(127)110-73(34-10-8-2)87(125)112-75(36-28-49-106-96(100)101)92(130)117-53-29-37-80(117)91(129)111-74(35-27-50-107-97(102)103-6)88(126)114-79(94(133)134)62-81(99)119/h23-25,32-33,41-42,45-46,67,70-71,73-80,118H,7-22,26-31,34-40,43-44,47-66H2,1-6H3,(H2,99,119)(H,104,121)(H,105,122)(H,108,120)(H,109,123)(H,110,127)(H,111,129)(H,112,125)(H,113,124)(H,114,126)(H,115,135)(H,116,128)(H,131,132)(H,133,134)(H4,100,101,106)(H3,102,103,107)/t70-,71-,73?,74-,75-,76-,77-,78-,79-,80-,98?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262077
(CHEMBL4103826)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C99H154N26O20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-123-48-50-124(51-49-123)59-84(132)113-78(60-126)92(140)115-71(41-42-81(100)129)87(135)122-79(61-127)93(141)114-69(31-23-43-108-97(102)103)85(133)111-58-83(131)112-74(55-64-36-39-68(128)40-37-64)89(137)120-76(56-65-35-38-66-29-20-21-30-67(66)53-65)91(139)118-73(52-62(2)3)88(136)119-75(54-63-27-18-17-19-28-63)90(138)117-72(33-25-45-110-99(106)107)95(143)125-47-26-34-80(125)94(142)116-70(32-24-44-109-98(104)105)86(134)121-77(96(144)145)57-82(101)130/h17-21,27-30,35-40,53,62,69-80,126-128H,4-16,22-26,31-34,41-52,54-61H2,1-3H3,(H2,100,129)(H2,101,130)(H,111,133)(H,112,131)(H,113,132)(H,114,141)(H,115,140)(H,116,142)(H,117,138)(H,118,139)(H,119,136)(H,120,137)(H,121,134)(H,122,135)(H,144,145)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262101
(CHEMBL4076016)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C82H124N18O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-98-43-45-99(46-44-98)54-72(104)90-53-71(103)91-65(50-57-34-37-61(101)38-35-57)75(107)96-67(51-58-33-36-59-28-20-21-29-60(59)48-58)77(109)94-64(47-55(2)3)74(106)95-66(49-56-26-18-17-19-27-56)76(108)93-63(31-24-40-89-82(86)87)79(111)100-42-25-32-69(100)78(110)92-62(30-23-39-88-81(84)85)73(105)97-68(80(112)113)52-70(83)102/h17-21,26-29,33-38,48,55,62-69,101H,4-16,22-25,30-32,39-47,49-54H2,1-3H3,(H2,83,102)(H,90,104)(H,91,103)(H,92,110)(H,93,108)(H,94,109)(H,95,106)(H,96,107)(H,97,105)(H,112,113)(H4,84,85,88)(H4,86,87,89)/t62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262098
(CHEMBL4061906)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)| Show InChI InChI=1S/C96H159N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-24-36-80(118)106-62-68-37-41-69(42-38-68)84(122)111-74(91(129)130)45-46-81(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-82(120)63-137-64-83(121)107-76(59-66-39-43-70(116)44-40-66)88(126)114-96(5,61-67-30-22-21-23-31-67)93(133)113-75(58-65(3)4)87(125)108-71(32-10-8-2)85(123)110-73(34-26-47-104-94(98)99)90(128)115-51-27-35-78(115)89(127)109-72(33-25-48-105-95(100)101-6)86(124)112-77(92(131)132)60-79(97)117/h21-23,30-31,39-40,43-44,65,68-69,71-78,116H,7-20,24-29,32-38,41-42,45-64H2,1-6H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,127)(H,110,123)(H,111,122)(H,112,124)(H,113,133)(H,114,126)(H,129,130)(H,131,132)(H4,98,99,104)(H3,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77-,78-,96?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262116
(CHEMBL4060830)Show SMILES CCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)| Show InChI InChI=1S/C92H151N19O22/c1-7-9-11-12-13-14-15-16-20-32-76(114)102-58-64-33-37-65(38-34-64)80(118)107-70(87(125)126)41-42-77(115)98-45-24-48-130-50-52-132-53-51-131-49-25-46-99-78(116)59-133-60-79(117)103-72(55-62-35-39-66(112)40-36-62)84(122)110-92(5,57-63-26-18-17-19-27-63)89(129)109-71(54-61(3)4)83(121)104-67(28-10-8-2)81(119)106-69(30-22-43-100-90(94)95)86(124)111-47-23-31-74(111)85(123)105-68(29-21-44-101-91(96)97-6)82(120)108-73(88(127)128)56-75(93)113/h17-19,26-27,35-36,39-40,61,64-65,67-74,112H,7-16,20-25,28-34,37-38,41-60H2,1-6H3,(H2,93,113)(H,98,115)(H,99,116)(H,102,114)(H,103,117)(H,104,121)(H,105,123)(H,106,119)(H,107,118)(H,108,120)(H,109,129)(H,110,122)(H,125,126)(H,127,128)(H4,94,95,100)(H3,96,97,101)/t64-,65-,67?,68-,69-,70-,71-,72-,73-,74-,92?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262112
(CHEMBL4092080)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)| Show InChI InChI=1S/C97H167N19O22/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-82(119)107-63-69-38-42-70(43-39-69)86(123)112-75(94(131)132)46-47-83(120)103-50-29-53-135-55-57-137-58-56-136-54-30-51-104-84(121)64-138-65-85(122)108-77(61-68-40-44-71(117)45-41-68)90(127)114-78(60-67-31-23-22-24-32-67)91(128)113-76(59-66(3)4)89(126)109-72(33-9-7-2)87(124)111-74(35-27-48-105-96(99)100)93(130)116-52-28-36-80(116)92(129)110-73(34-26-49-106-97(101)102-5)88(125)115-79(95(133)134)62-81(98)118/h40-41,44-45,66-67,69-70,72-80,117H,6-39,42-43,46-65H2,1-5H3,(H2,98,118)(H,103,120)(H,104,121)(H,107,119)(H,108,122)(H,109,126)(H,110,129)(H,111,124)(H,112,123)(H,113,128)(H,114,127)(H,115,125)(H,131,132)(H,133,134)(H4,99,100,105)(H3,101,102,106)/t69-,70-,72?,73-,74-,75-,76-,77-,78?,79-,80-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262119
(CHEMBL4097408)Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)| Show InChI InChI=1S/C101H155N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-86(123)111-64-70-35-41-73(42-36-70)90(127)115-78(98(135)136)45-46-87(124)107-49-25-52-139-54-56-141-57-55-140-53-26-50-108-88(125)65-142-66-89(126)112-80(61-69-38-43-75(121)44-39-69)93(130)118-82(62-71-37-40-72-29-20-21-30-74(72)59-71)95(132)116-79(58-67(2)3)92(129)117-81(60-68-27-17-16-18-28-68)94(131)114-77(32-23-48-110-101(105)106)97(134)120-51-24-33-84(120)96(133)113-76(31-22-47-109-100(103)104)91(128)119-83(99(137)138)63-85(102)122/h16-18,20-21,27-30,37-40,43-44,59,67,70,73,76-84,121H,4-15,19,22-26,31-36,41-42,45-58,60-66H2,1-3H3,(H2,102,122)(H,107,124)(H,108,125)(H,111,123)(H,112,126)(H,113,133)(H,114,131)(H,115,127)(H,116,132)(H,117,129)(H,118,130)(H,119,128)(H,135,136)(H,137,138)(H4,103,104,109)(H4,105,106,110)/t70-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262103
(CHEMBL4079565)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C96H149N25O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-119-48-50-120(51-49-119)59-82(127)109-70(41-42-79(97)124)85(130)118-77(60-122)90(135)111-68(31-23-43-105-94(99)100)83(128)108-58-81(126)110-73(55-63-36-39-67(123)40-37-63)87(132)116-75(56-64-35-38-65-29-20-21-30-66(65)53-64)89(134)114-72(52-61(2)3)86(131)115-74(54-62-27-18-17-19-28-62)88(133)113-71(33-25-45-107-96(103)104)92(137)121-47-26-34-78(121)91(136)112-69(32-24-44-106-95(101)102)84(129)117-76(93(138)139)57-80(98)125/h17-21,27-30,35-40,53,61,68-78,122-123H,4-16,22-26,31-34,41-52,54-60H2,1-3H3,(H2,97,124)(H2,98,125)(H,108,128)(H,109,127)(H,110,126)(H,111,135)(H,112,136)(H,113,133)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,130)(H,138,139)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262120
(CHEMBL4083670)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:116.120,98.101,24.27,wD:30.31,112.116,128.132,58.58,82.84,21.20,(-25.37,-15.68,;-24.04,-16.46,;-22.7,-15.69,;-21.36,-16.47,;-20.03,-15.69,;-18.69,-16.47,;-17.36,-15.69,;-16.03,-16.47,;-14.69,-15.69,;-13.36,-16.47,;-12.02,-15.69,;-10.69,-16.47,;-9.35,-15.69,;-8.01,-16.47,;-6.69,-15.69,;-5.35,-16.47,;-4.02,-15.69,;-2.68,-16.47,;-2.69,-18.01,;-1.35,-15.69,;-.01,-16.47,;1.33,-15.7,;2.66,-16.48,;4,-15.72,;3.99,-14.18,;2.67,-13.41,;1.34,-14.17,;5.33,-13.42,;5.33,-11.88,;6.66,-14.19,;7.99,-13.42,;9.33,-14.2,;10.66,-13.43,;12,-14.21,;11.99,-15.75,;13.34,-13.44,;14.67,-14.2,;16,-13.43,;17.33,-14.2,;18.66,-13.43,;20,-14.2,;21.33,-13.43,;22.66,-14.2,;23.99,-13.43,;25.32,-14.2,;26.65,-13.43,;27.99,-14.2,;29.32,-13.43,;30.65,-14.2,;31.98,-13.43,;33.31,-14.2,;33.31,-15.74,;34.64,-13.43,;35.99,-14.19,;37.31,-13.4,;38.65,-14.15,;38.67,-15.69,;39.97,-13.37,;41.3,-14.14,;41.31,-15.69,;42.64,-16.45,;43.97,-15.69,;45.31,-16.45,;45.31,-18,;46.65,-18.74,;43.97,-18.76,;42.64,-17.99,;42.64,-13.37,;42.64,-11.83,;43.97,-14.14,;45.31,-13.37,;43.97,-12.6,;45.31,-11.83,;46.64,-11.07,;47.98,-11.84,;49.31,-11.07,;49.31,-9.53,;47.98,-8.75,;46.64,-9.53,;46.64,-14.14,;46.64,-15.69,;47.98,-13.38,;49.31,-14.14,;49.32,-15.68,;50.64,-16.45,;51.98,-15.69,;50.64,-18,;50.64,-13.38,;50.65,-11.84,;52,-14.13,;53.35,-13.37,;54.69,-14.14,;54.69,-15.68,;56.02,-16.45,;56.02,-17.98,;53.35,-11.83,;52.02,-11.06,;54.69,-11.04,;54.68,-9.49,;53.34,-8.72,;53.34,-7.18,;54.68,-6.41,;54.69,-4.86,;56.03,-4.09,;57.37,-4.85,;56.04,-2.55,;56.01,-8.72,;56.01,-7.18,;57.35,-9.49,;57.51,-11.02,;59.01,-11.33,;59.78,-10,;58.75,-8.86,;59.07,-7.36,;57.92,-6.32,;60.54,-6.87,;60.58,-5.32,;59.27,-4.52,;59.32,-2.97,;58,-2.17,;58.04,-.62,;56.72,.21,;56.76,1.74,;55.37,-.54,;54.06,.28,;61.93,-4.59,;63.24,-5.39,;61.97,-3.04,;63.34,-2.3,;64.65,-3.1,;66,-2.37,;66.05,-.84,;67.31,-3.18,;63.38,-.76,;62.07,.05,;64.73,-.02,;8,-11.88,;9.33,-11.12,;6.66,-11.1,)| Show InChI InChI=1S/C98H163N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-38-82(120)108-64-70-39-43-71(44-40-70)86(124)113-76(93(131)132)47-48-83(121)104-51-30-54-136-56-58-138-59-57-137-55-31-52-105-84(122)65-139-66-85(123)109-78(61-68-41-45-72(118)46-42-68)90(128)116-98(5,63-69-32-24-23-25-33-69)95(135)115-77(60-67(3)4)89(127)110-73(34-10-8-2)87(125)112-75(36-28-49-106-96(100)101)92(130)117-53-29-37-80(117)91(129)111-74(35-27-50-107-97(102)103-6)88(126)114-79(94(133)134)62-81(99)119/h23-25,32-33,41-42,45-46,67,70-71,73-80,118H,7-22,26-31,34-40,43-44,47-66H2,1-6H3,(H2,99,119)(H,104,121)(H,105,122)(H,108,120)(H,109,123)(H,110,127)(H,111,129)(H,112,125)(H,113,124)(H,114,126)(H,115,135)(H,116,128)(H,131,132)(H,133,134)(H4,100,101,106)(H3,102,103,107)/t70-,71-,73?,74-,75-,76-,77-,78-,79-,80-,98?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262103
(CHEMBL4079565)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C96H149N25O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-119-48-50-120(51-49-119)59-82(127)109-70(41-42-79(97)124)85(130)118-77(60-122)90(135)111-68(31-23-43-105-94(99)100)83(128)108-58-81(126)110-73(55-63-36-39-67(123)40-37-63)87(132)116-75(56-64-35-38-65-29-20-21-30-66(65)53-64)89(134)114-72(52-61(2)3)86(131)115-74(54-62-27-18-17-19-28-62)88(133)113-71(33-25-45-107-96(103)104)92(137)121-47-26-34-78(121)91(136)112-69(32-24-44-106-95(101)102)84(129)117-76(93(138)139)57-80(98)125/h17-21,27-30,35-40,53,61,68-78,122-123H,4-16,22-26,31-34,41-52,54-60H2,1-3H3,(H2,97,124)(H2,98,125)(H,108,128)(H,109,127)(H,110,126)(H,111,135)(H,112,136)(H,113,133)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,130)(H,138,139)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262109
(CHEMBL4080881)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C96H151N17O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-84(116)102-43-48-130-52-56-134-60-58-132-54-50-128-46-39-85(117)103-44-49-131-53-57-135-61-59-133-55-51-129-47-40-86(118)106-78(65-70-34-37-74(114)38-35-70)89(121)111-80(66-71-33-36-72-27-20-21-28-73(72)63-71)91(123)109-77(62-68(2)3)88(120)110-79(64-69-25-17-16-18-26-69)90(122)108-76(30-23-42-105-96(100)101)93(125)113-45-24-31-82(113)92(124)107-75(29-22-41-104-95(98)99)87(119)112-81(94(126)127)67-83(97)115/h16-18,20-21,25-28,33-38,63,68,75-82,114H,4-15,19,22-24,29-32,39-62,64-67H2,1-3H3,(H2,97,115)(H,102,116)(H,103,117)(H,106,118)(H,107,124)(H,108,122)(H,109,123)(H,110,120)(H,111,121)(H,112,119)(H,126,127)(H4,98,99,104)(H4,100,101,105)/t75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Homo sapiens (Human)) | BDBM50262117
(CHEMBL4067577)Show SMILES CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O |r,wU:103.107,85.88,68.69,wD:64.65,99.103,115.119,28.38,8.12,71.73,(74.22,-35,;74.23,-33.46,;72.89,-32.69,;72.9,-31.15,;71.55,-30.38,;70.2,-31.14,;68.85,-30.39,;68.85,-28.85,;67.51,-31.16,;67.52,-32.7,;68.85,-33.46,;70.18,-32.7,;68.85,-35.01,;66.18,-30.39,;64.84,-31.15,;64.84,-32.7,;63.52,-30.39,;62.17,-29.61,;63.51,-28.85,;64.85,-28.08,;66.18,-28.85,;67.52,-28.08,;67.52,-26.54,;66.18,-25.77,;64.85,-26.54,;62.17,-31.15,;60.85,-30.38,;60.84,-28.84,;59.51,-31.16,;59.51,-32.7,;60.84,-33.47,;62.17,-32.7,;63.51,-33.47,;63.51,-35.01,;64.86,-35.75,;62.17,-35.77,;60.84,-35.01,;58.17,-30.38,;56.85,-31.17,;56.87,-32.7,;55.51,-30.41,;54.19,-31.2,;52.84,-30.45,;51.51,-31.22,;51.51,-32.75,;50.18,-30.45,;48.85,-31.22,;47.52,-30.45,;46.19,-31.22,;44.85,-30.45,;43.52,-31.22,;42.19,-30.45,;40.86,-31.22,;39.53,-30.45,;38.19,-31.22,;36.86,-30.45,;35.53,-31.22,;34.2,-30.45,;32.86,-31.22,;31.53,-30.45,;30.2,-31.22,;30.19,-32.76,;28.86,-30.44,;27.52,-31.21,;26.19,-30.43,;24.85,-31.2,;23.52,-30.43,;23.52,-28.89,;22.19,-31.19,;22.19,-32.73,;20.85,-33.49,;19.52,-32.72,;18.19,-33.48,;16.86,-32.71,;15.51,-33.48,;14.18,-32.7,;15.51,-35.03,;19.53,-31.18,;20.86,-30.42,;26.19,-28.89,;27.53,-28.13,;24.86,-28.12,;71.55,-28.84,;70.22,-28.07,;72.89,-28.05,;72.89,-26.5,;71.55,-25.73,;71.55,-24.19,;72.89,-23.42,;72.89,-21.87,;74.24,-21.1,;75.57,-21.86,;74.24,-19.56,;74.22,-25.73,;74.22,-24.19,;75.55,-26.5,;75.71,-28.03,;77.21,-28.34,;77.99,-27.01,;76.95,-25.88,;77.28,-24.37,;76.13,-23.33,;78.75,-23.88,;78.79,-22.33,;77.48,-21.53,;77.52,-19.98,;76.2,-19.18,;76.24,-17.63,;74.93,-16.82,;74.97,-15.28,;73.57,-17.55,;72.26,-16.74,;80.14,-21.6,;81.45,-22.4,;80.18,-20.05,;81.54,-19.31,;82.86,-20.11,;84.21,-19.38,;84.26,-17.85,;85.52,-20.19,;81.59,-17.77,;80.28,-16.96,;82.93,-17.04,)| Show InChI InChI=1S/C82H131N19O22/c1-7-8-19-58(71(109)96-60(21-13-33-90-80(84)85)76(114)101-37-14-22-65(101)75(113)95-59(20-12-34-91-81(86)87-6)72(110)98-64(78(117)118)46-66(83)104)94-73(111)62(44-51(2)3)99-79(119)82(5,47-54-17-10-9-11-18-54)100-74(112)63(45-53-25-29-57(103)30-26-53)93-69(107)50-123-49-68(106)89-36-16-39-121-41-43-122-42-40-120-38-15-35-88-67(105)32-31-61(77(115)116)97-70(108)56-27-23-55(24-28-56)48-92-52(4)102/h9-11,17-18,25-26,29-30,51,55-56,58-65,103H,7-8,12-16,19-24,27-28,31-50H2,1-6H3,(H2,83,104)(H,88,105)(H,89,106)(H,92,102)(H,93,107)(H,94,111)(H,95,113)(H,96,109)(H,97,108)(H,98,110)(H,99,119)(H,100,112)(H,115,116)(H,117,118)(H4,84,85,90)(H3,86,87,91)/t55-,56-,58?,59-,60-,61-,62-,63-,64-,65-,82?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262102
(CHEMBL4073508)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C91H141N23O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-112-46-48-113(49-47-112)57-78(119)104-74(58-115)85(126)105-66(31-23-41-99-89(93)94)79(120)102-56-77(118)103-70(53-61-36-39-65(116)40-37-61)82(123)110-72(54-62-35-38-63-29-20-21-30-64(63)51-62)84(125)108-69(50-59(2)3)81(122)109-71(52-60-27-18-17-19-28-60)83(124)107-68(33-25-43-101-91(97)98)87(128)114-45-26-34-75(114)86(127)106-67(32-24-42-100-90(95)96)80(121)111-73(88(129)130)55-76(92)117/h17-21,27-30,35-40,51,59,66-75,115-116H,4-16,22-26,31-34,41-50,52-58H2,1-3H3,(H2,92,117)(H,102,120)(H,103,118)(H,104,119)(H,105,126)(H,106,127)(H,107,124)(H,108,125)(H,109,122)(H,110,123)(H,111,121)(H,129,130)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262116
(CHEMBL4060830)Show SMILES CCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)| Show InChI InChI=1S/C92H151N19O22/c1-7-9-11-12-13-14-15-16-20-32-76(114)102-58-64-33-37-65(38-34-64)80(118)107-70(87(125)126)41-42-77(115)98-45-24-48-130-50-52-132-53-51-131-49-25-46-99-78(116)59-133-60-79(117)103-72(55-62-35-39-66(112)40-36-62)84(122)110-92(5,57-63-26-18-17-19-27-63)89(129)109-71(54-61(3)4)83(121)104-67(28-10-8-2)81(119)106-69(30-22-43-100-90(94)95)86(124)111-47-23-31-74(111)85(123)105-68(29-21-44-101-91(96)97-6)82(120)108-73(88(127)128)56-75(93)113/h17-19,26-27,35-36,39-40,61,64-65,67-74,112H,7-16,20-25,28-34,37-38,41-60H2,1-6H3,(H2,93,113)(H,98,115)(H,99,116)(H,102,114)(H,103,117)(H,104,121)(H,105,123)(H,106,119)(H,107,118)(H,108,120)(H,109,129)(H,110,122)(H,125,126)(H,127,128)(H4,94,95,100)(H3,96,97,101)/t64-,65-,67?,68-,69-,70-,71-,72-,73-,74-,92?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262102
(CHEMBL4073508)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C91H141N23O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-112-46-48-113(49-47-112)57-78(119)104-74(58-115)85(126)105-66(31-23-41-99-89(93)94)79(120)102-56-77(118)103-70(53-61-36-39-65(116)40-37-61)82(123)110-72(54-62-35-38-63-29-20-21-30-64(63)51-62)84(125)108-69(50-59(2)3)81(122)109-71(52-60-27-18-17-19-28-60)83(124)107-68(33-25-43-101-91(97)98)87(128)114-45-26-34-75(114)86(127)106-67(32-24-42-100-90(95)96)80(121)111-73(88(129)130)55-76(92)117/h17-21,27-30,35-40,51,59,66-75,115-116H,4-16,22-26,31-34,41-50,52-58H2,1-3H3,(H2,92,117)(H,102,120)(H,103,118)(H,104,119)(H,105,126)(H,106,127)(H,107,124)(H,108,125)(H,109,122)(H,110,123)(H,111,121)(H,129,130)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262099
(CHEMBL4074121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262111
(CHEMBL4081819)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262077
(CHEMBL4103826)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C99H154N26O20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-46-123-48-50-124(51-49-123)59-84(132)113-78(60-126)92(140)115-71(41-42-81(100)129)87(135)122-79(61-127)93(141)114-69(31-23-43-108-97(102)103)85(133)111-58-83(131)112-74(55-64-36-39-68(128)40-37-64)89(137)120-76(56-65-35-38-66-29-20-21-30-67(66)53-65)91(139)118-73(52-62(2)3)88(136)119-75(54-63-27-18-17-19-28-63)90(138)117-72(33-25-45-110-99(106)107)95(143)125-47-26-34-80(125)94(142)116-70(32-24-44-109-98(104)105)86(134)121-77(96(144)145)57-82(101)130/h17-21,27-30,35-40,53,62,69-80,126-128H,4-16,22-26,31-34,41-52,54-61H2,1-3H3,(H2,100,129)(H2,101,130)(H,111,133)(H,112,131)(H,113,132)(H,114,141)(H,115,140)(H,116,142)(H,117,138)(H,118,139)(H,119,136)(H,120,137)(H,121,134)(H,122,135)(H,144,145)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50049425
(CHEMBL3356083)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Mus musculus) | BDBM50262104
(CHEMBL4088810)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C102H159N27O21/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-47-127-49-51-128(52-50-127)60-86(136)115-64(4)87(137)125-80(61-130)95(145)118-73(42-43-83(103)133)90(140)126-81(62-131)96(146)117-71(32-24-44-111-100(105)106)88(138)114-59-85(135)116-76(56-66-37-40-70(132)41-38-66)92(142)123-78(57-67-36-39-68-30-21-22-31-69(68)54-67)94(144)121-75(53-63(2)3)91(141)122-77(55-65-28-19-18-20-29-65)93(143)120-74(34-26-46-113-102(109)110)98(148)129-48-27-35-82(129)97(147)119-72(33-25-45-112-101(107)108)89(139)124-79(99(149)150)58-84(104)134/h18-22,28-31,36-41,54,63-64,71-82,130-132H,5-17,23-27,32-35,42-53,55-62H2,1-4H3,(H2,103,133)(H2,104,134)(H,114,138)(H,115,136)(H,116,135)(H,117,146)(H,118,145)(H,119,147)(H,120,143)(H,121,144)(H,122,141)(H,123,142)(H,124,139)(H,125,137)(H,126,140)(H,149,150)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI... |
Bioorg Med Chem Lett 27: 4626-4629 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
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