Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50197011' 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)) | BDBM50197011
(CHEMBL238533 | PYY(22-36))Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=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](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:84.85,14.15,69.70,31.30,85.88,102.103,53.54,4.4,122.123,wD:20.19,77.78,41.41,91.92,8.10,61.62,111.112,(-4.56,-28.45,;-4.56,-29.99,;-3.22,-30.76,;-5.89,-30.76,;-5.89,-32.3,;-7.22,-33.07,;-8.56,-32.3,;-8.56,-30.76,;-9.89,-33.07,;-9.89,-34.61,;-8.57,-35.38,;-11.22,-32.3,;-12.55,-33.08,;-12.55,-34.62,;-13.88,-32.31,;-13.88,-30.77,;-15.22,-33.08,;-4.56,-33.07,;-4.56,-34.61,;-3.23,-32.29,;-1.9,-33.05,;-1.9,-34.59,;-.57,-35.36,;-.57,-36.9,;.76,-37.67,;.78,-39.21,;-.56,-39.98,;2.11,-39.98,;-.57,-32.28,;-.57,-30.74,;.76,-33.05,;2.11,-32.3,;2.11,-30.76,;3.43,-29.99,;4.84,-30.62,;5.87,-29.47,;5.1,-28.14,;3.6,-28.45,;3.43,-33.07,;3.43,-34.61,;4.77,-32.29,;6.1,-33.06,;6.1,-34.6,;7.43,-35.37,;8.77,-34.6,;10.1,-35.37,;10.1,-36.91,;11.42,-37.68,;8.77,-37.68,;7.43,-36.91,;7.43,-32.29,;7.43,-30.75,;8.76,-33.06,;10.1,-32.29,;10.1,-30.75,;11.43,-29.98,;11.43,-28.44,;12.76,-30.75,;11.43,-33.06,;11.43,-34.6,;12.76,-32.29,;14.09,-33.06,;14.09,-34.6,;15.42,-35.37,;16.76,-34.6,;15.42,-36.91,;15.42,-32.29,;15.42,-30.75,;16.76,-33.06,;18.1,-32.29,;18.1,-30.75,;19.43,-29.98,;19.43,-28.44,;20.76,-30.75,;19.43,-33.06,;19.43,-34.6,;20.76,-32.29,;22.09,-33.06,;22.09,-34.6,;23.42,-35.37,;20.75,-35.37,;23.42,-32.29,;23.42,-30.75,;24.75,-33.06,;26.09,-32.29,;26.09,-30.75,;24.75,-29.98,;27.41,-29.97,;27.42,-33.06,;27.42,-34.6,;28.75,-32.29,;30.08,-33.06,;30.08,-34.6,;31.41,-35.37,;31.41,-36.91,;32.75,-37.68,;32.75,-39.22,;31.42,-39.99,;34.09,-39.99,;31.41,-32.29,;31.41,-30.75,;32.75,-33.06,;34.08,-32.29,;34.08,-30.75,;35.41,-29.98,;35.41,-28.44,;34.08,-27.67,;36.75,-27.67,;35.41,-33.06,;35.41,-34.6,;36.74,-32.29,;38.08,-33.06,;38.08,-34.6,;39.41,-35.37,;39.41,-36.91,;40.74,-37.67,;40.74,-39.21,;39.4,-39.98,;42.08,-39.98,;39.41,-32.29,;39.41,-30.75,;40.74,-33.06,;42.07,-32.29,;42.07,-30.75,;43.4,-29.98,;44.74,-30.75,;46.08,-29.98,;46.08,-28.44,;47.4,-27.67,;44.74,-27.67,;43.4,-28.44,;43.4,-33.06,;44.74,-32.29,;43.4,-34.6,)| Show InChI InChI=1S/C84H137N29O21/c1-40(2)30-56(107-79(132)62(38-114)111-68(121)44(9)85)73(126)101-52(15-12-28-97-83(91)92)71(124)109-60(35-48-37-95-39-99-48)76(129)108-59(34-47-19-23-50(117)24-20-47)75(128)105-57(31-41(3)4)74(127)110-61(36-64(87)119)77(130)106-58(32-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(16-13-29-98-84(93)94)69(122)102-54(25-26-63(86)118)72(125)100-51(14-11-27-96-82(89)90)70(123)104-55(67(88)120)33-46-17-21-49(116)22-18-46/h17-24,37,39-45,51-62,65-66,114-117H,11-16,25-36,38,85H2,1-10H3,(H2,86,118)(H2,87,119)(H2,88,120)(H,95,99)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197011
(CHEMBL238533 | PYY(22-36))Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=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](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:84.85,14.15,69.70,31.30,85.88,102.103,53.54,4.4,122.123,wD:20.19,77.78,41.41,91.92,8.10,61.62,111.112,(-4.56,-28.45,;-4.56,-29.99,;-3.22,-30.76,;-5.89,-30.76,;-5.89,-32.3,;-7.22,-33.07,;-8.56,-32.3,;-8.56,-30.76,;-9.89,-33.07,;-9.89,-34.61,;-8.57,-35.38,;-11.22,-32.3,;-12.55,-33.08,;-12.55,-34.62,;-13.88,-32.31,;-13.88,-30.77,;-15.22,-33.08,;-4.56,-33.07,;-4.56,-34.61,;-3.23,-32.29,;-1.9,-33.05,;-1.9,-34.59,;-.57,-35.36,;-.57,-36.9,;.76,-37.67,;.78,-39.21,;-.56,-39.98,;2.11,-39.98,;-.57,-32.28,;-.57,-30.74,;.76,-33.05,;2.11,-32.3,;2.11,-30.76,;3.43,-29.99,;4.84,-30.62,;5.87,-29.47,;5.1,-28.14,;3.6,-28.45,;3.43,-33.07,;3.43,-34.61,;4.77,-32.29,;6.1,-33.06,;6.1,-34.6,;7.43,-35.37,;8.77,-34.6,;10.1,-35.37,;10.1,-36.91,;11.42,-37.68,;8.77,-37.68,;7.43,-36.91,;7.43,-32.29,;7.43,-30.75,;8.76,-33.06,;10.1,-32.29,;10.1,-30.75,;11.43,-29.98,;11.43,-28.44,;12.76,-30.75,;11.43,-33.06,;11.43,-34.6,;12.76,-32.29,;14.09,-33.06,;14.09,-34.6,;15.42,-35.37,;16.76,-34.6,;15.42,-36.91,;15.42,-32.29,;15.42,-30.75,;16.76,-33.06,;18.1,-32.29,;18.1,-30.75,;19.43,-29.98,;19.43,-28.44,;20.76,-30.75,;19.43,-33.06,;19.43,-34.6,;20.76,-32.29,;22.09,-33.06,;22.09,-34.6,;23.42,-35.37,;20.75,-35.37,;23.42,-32.29,;23.42,-30.75,;24.75,-33.06,;26.09,-32.29,;26.09,-30.75,;24.75,-29.98,;27.41,-29.97,;27.42,-33.06,;27.42,-34.6,;28.75,-32.29,;30.08,-33.06,;30.08,-34.6,;31.41,-35.37,;31.41,-36.91,;32.75,-37.68,;32.75,-39.22,;31.42,-39.99,;34.09,-39.99,;31.41,-32.29,;31.41,-30.75,;32.75,-33.06,;34.08,-32.29,;34.08,-30.75,;35.41,-29.98,;35.41,-28.44,;34.08,-27.67,;36.75,-27.67,;35.41,-33.06,;35.41,-34.6,;36.74,-32.29,;38.08,-33.06,;38.08,-34.6,;39.41,-35.37,;39.41,-36.91,;40.74,-37.67,;40.74,-39.21,;39.4,-39.98,;42.08,-39.98,;39.41,-32.29,;39.41,-30.75,;40.74,-33.06,;42.07,-32.29,;42.07,-30.75,;43.4,-29.98,;44.74,-30.75,;46.08,-29.98,;46.08,-28.44,;47.4,-27.67,;44.74,-27.67,;43.4,-28.44,;43.4,-33.06,;44.74,-32.29,;43.4,-34.6,)| Show InChI InChI=1S/C84H137N29O21/c1-40(2)30-56(107-79(132)62(38-114)111-68(121)44(9)85)73(126)101-52(15-12-28-97-83(91)92)71(124)109-60(35-48-37-95-39-99-48)76(129)108-59(34-47-19-23-50(117)24-20-47)75(128)105-57(31-41(3)4)74(127)110-61(36-64(87)119)77(130)106-58(32-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(16-13-29-98-84(93)94)69(122)102-54(25-26-63(86)118)72(125)100-51(14-11-27-96-82(89)90)70(123)104-55(67(88)120)33-46-17-21-49(116)22-18-46/h17-24,37,39-45,51-62,65-66,114-117H,11-16,25-36,38,85H2,1-10H3,(H2,86,118)(H2,87,119)(H2,88,120)(H,95,99)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]GTPgammaS incorporation assay |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
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