Found 8 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 |
|---|
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50210327
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)| Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY1 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50210327
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)| Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50210327
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)| Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY1 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at human NPY2 by [35S]GTPgammaS cAMP accumulation assay |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50210327
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)| Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at human NPY2 by [35S]GTPgammaS cAMP accumulation assay |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
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