Found 16 hits with Last Name = 'pellegrino' and Initial = 'cm' 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 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)) | 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 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 | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PACAP27 from human PAC1 receptor expressed in CHO cells |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PACAP27 from human VPAC1 receptor expressed in CHO cells |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PACAP27 from human VPAC2 receptor expressed in CHO cells |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50200210
(Ac-HSDAVFTDQYTRLRKQVAAKKYLQSIKQKRYC | CHEMBL440082)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C174H280N52O49S/c1-17-90(10)137(168(271)209-109(40-25-30-68-179)146(249)205-113(56-60-129(180)235)151(254)202-106(37-22-27-65-176)144(247)203-111(42-32-70-192-173(186)187)149(252)214-120(76-99-46-52-103(233)53-47-99)159(262)221-128(84-276)171(274)275)224-165(268)127(83-228)219-153(256)115(58-62-131(182)237)207-157(260)118(73-87(4)5)212-158(261)119(75-98-44-50-102(232)51-45-98)213-148(251)108(39-24-29-67-178)201-143(246)105(36-21-26-64-175)199-141(244)92(12)195-140(243)91(11)197-166(269)135(88(6)7)223-154(257)116(59-63-132(183)238)206-145(248)107(38-23-28-66-177)200-147(250)110(41-31-69-191-172(184)185)204-156(259)117(72-86(2)3)211-150(253)112(43-33-71-193-174(188)189)210-169(272)138(94(14)229)225-162(265)121(77-100-48-54-104(234)55-49-100)215-152(255)114(57-61-130(181)236)208-161(264)125(80-134(241)242)218-170(273)139(95(15)230)226-163(266)122(74-97-34-19-18-20-35-97)217-167(270)136(89(8)9)222-142(245)93(13)196-155(258)124(79-133(239)240)216-164(267)126(82-227)220-160(263)123(198-96(16)231)78-101-81-190-85-194-101/h18-20,34-35,44-55,81,85-95,105-128,135-139,227-230,232-234,276H,17,21-33,36-43,56-80,82-84,175-179H2,1-16H3,(H2,180,235)(H2,181,236)(H2,182,237)(H2,183,238)(H,190,194)(H,195,243)(H,196,258)(H,197,269)(H,198,231)(H,199,244)(H,200,250)(H,201,246)(H,202,254)(H,203,247)(H,204,259)(H,205,249)(H,206,248)(H,207,260)(H,208,264)(H,209,271)(H,210,272)(H,211,253)(H,212,261)(H,213,251)(H,214,252)(H,215,255)(H,216,267)(H,217,270)(H,218,273)(H,219,256)(H,220,263)(H,221,262)(H,222,245)(H,223,257)(H,224,268)(H,225,265)(H,226,266)(H,239,240)(H,241,242)(H,274,275)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,91-,92-,93-,94+,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,135-,136-,137-,138-,139-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PACAP27 from human VPAC2 receptor expressed in CHO cells |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50200210
(Ac-HSDAVFTDQYTRLRKQVAAKKYLQSIKQKRYC | CHEMBL440082)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C174H280N52O49S/c1-17-90(10)137(168(271)209-109(40-25-30-68-179)146(249)205-113(56-60-129(180)235)151(254)202-106(37-22-27-65-176)144(247)203-111(42-32-70-192-173(186)187)149(252)214-120(76-99-46-52-103(233)53-47-99)159(262)221-128(84-276)171(274)275)224-165(268)127(83-228)219-153(256)115(58-62-131(182)237)207-157(260)118(73-87(4)5)212-158(261)119(75-98-44-50-102(232)51-45-98)213-148(251)108(39-24-29-67-178)201-143(246)105(36-21-26-64-175)199-141(244)92(12)195-140(243)91(11)197-166(269)135(88(6)7)223-154(257)116(59-63-132(183)238)206-145(248)107(38-23-28-66-177)200-147(250)110(41-31-69-191-172(184)185)204-156(259)117(72-86(2)3)211-150(253)112(43-33-71-193-174(188)189)210-169(272)138(94(14)229)225-162(265)121(77-100-48-54-104(234)55-49-100)215-152(255)114(57-61-130(181)236)208-161(264)125(80-134(241)242)218-170(273)139(95(15)230)226-163(266)122(74-97-34-19-18-20-35-97)217-167(270)136(89(8)9)222-142(245)93(13)196-155(258)124(79-133(239)240)216-164(267)126(82-227)220-160(263)123(198-96(16)231)78-101-81-190-85-194-101/h18-20,34-35,44-55,81,85-95,105-128,135-139,227-230,232-234,276H,17,21-33,36-43,56-80,82-84,175-179H2,1-16H3,(H2,180,235)(H2,181,236)(H2,182,237)(H2,183,238)(H,190,194)(H,195,243)(H,196,258)(H,197,269)(H,198,231)(H,199,244)(H,200,250)(H,201,246)(H,202,254)(H,203,247)(H,204,259)(H,205,249)(H,206,248)(H,207,260)(H,208,264)(H,209,271)(H,210,272)(H,211,253)(H,212,261)(H,213,251)(H,214,252)(H,215,255)(H,216,267)(H,217,270)(H,218,273)(H,219,256)(H,220,263)(H,221,262)(H,222,245)(H,223,257)(H,224,268)(H,225,265)(H,226,266)(H,239,240)(H,241,242)(H,274,275)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,91-,92-,93-,94+,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,135-,136-,137-,138-,139-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human VPAC2 receptor in CHO cells by measuring cAMP accumulation |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human PAC1 receptor in CHO cells by measuring cAMP accumulation |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human VPAC2 receptor in CHO cells by measuring cAMP accumulation |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
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 | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human VPAC1 receptor in CHO cells by measuring cAMP accumulation |
J Med Chem 49: 7545-8 (2006)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
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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