Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50197017' 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)) | BDBM50197017
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)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)C1Cc2ccccc2N1)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 |w:41.42,wU:76.79,77.82,4.4,94.97,20.28,61.64,114.117,wD:69.72,8.17,30.39,83.86,53.56,103.106,(13.65,3.52,;13.65,1.98,;14.98,1.21,;12.32,1.21,;12.32,-.33,;10.98,-1.09,;9.64,-.32,;9.64,1.22,;8.32,-1.09,;8.32,-2.63,;9.64,-3.4,;10.98,-2.63,;12.32,-3.4,;12.32,-4.94,;13.63,-5.7,;10.98,-5.71,;9.64,-4.94,;6.98,-.32,;5.65,-1.11,;5.65,-2.65,;4.33,-.34,;4.33,1.2,;5.65,1.97,;7.06,1.34,;8.09,2.49,;7.32,3.82,;5.82,3.51,;2.99,-1.1,;1.65,-.33,;1.65,1.21,;.32,-1.1,;.32,-2.64,;1.65,-3.41,;1.65,-4.95,;2.99,-5.72,;2.99,-7.26,;1.64,-8.02,;4.31,-8.02,;-1.01,-.33,;-2.34,-1.12,;-2.34,-2.66,;-3.66,-.36,;-3.83,1.18,;-5.33,1.49,;-6.09,2.82,;-7.63,2.82,;-8.4,1.48,;-7.63,.16,;-6.1,.16,;-5.07,-.98,;13.65,-1.1,;13.65,-2.64,;14.98,-.32,;16.31,-1.09,;16.31,-2.63,;17.64,-3.4,;18.96,-2.63,;17.64,-4.94,;17.64,-.32,;17.64,1.22,;18.97,-1.09,;20.31,-.33,;20.31,1.21,;21.64,1.98,;21.64,3.52,;22.98,1.21,;21.64,-1.1,;21.64,-2.64,;22.97,-.32,;24.3,-1.09,;24.3,-2.63,;25.63,-3.4,;22.97,-3.4,;25.63,-.32,;25.63,1.22,;26.97,-1.09,;28.3,-.32,;28.3,1.22,;26.97,1.99,;29.63,1.99,;29.63,-1.09,;29.63,-2.63,;30.96,-.32,;32.29,-1.09,;32.29,-2.63,;33.62,-3.4,;33.62,-4.94,;34.96,-5.7,;34.96,-7.24,;33.62,-8.01,;36.29,-8.01,;33.62,-.32,;33.62,1.22,;34.96,-1.08,;36.3,-.32,;36.3,1.22,;37.62,1.99,;37.62,3.53,;36.29,4.3,;38.96,4.3,;37.62,-1.09,;37.62,-2.63,;38.95,-.32,;40.29,-1.09,;40.29,-2.63,;41.62,-3.4,;41.62,-4.94,;42.95,-5.7,;42.95,-7.24,;41.61,-8.01,;44.29,-8.01,;41.62,-.32,;41.62,1.22,;42.95,-1.09,;44.29,-.32,;44.29,1.22,;45.62,1.99,;46.95,1.22,;48.29,1.99,;48.29,3.53,;49.62,4.3,;46.95,4.3,;45.62,3.53,;45.62,-1.09,;46.95,-.32,;45.62,-2.63,)| Show InChI InChI=1S/C81H123N27O18/c1-40(2)31-56(102-72(120)58(34-45-20-24-49(111)25-21-45)104-74(122)60(36-47-38-91-39-95-47)105-69(117)52(16-11-29-93-80(87)88)98-73(121)59-35-46-13-8-9-14-50(46)96-59)71(119)106-61(37-63(83)113)75(123)103-57(32-41(3)4)76(124)107-64(42(5)6)77(125)108-65(43(7)109)78(126)100-53(17-12-30-94-81(89)90)67(115)99-54(26-27-62(82)112)70(118)97-51(15-10-28-92-79(85)86)68(116)101-55(66(84)114)33-44-18-22-48(110)23-19-44/h8-9,13-14,18-25,38-43,51-61,64-65,96,109-111H,10-12,15-17,26-37H2,1-7H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,91,95)(H,97,118)(H,98,121)(H,99,115)(H,100,126)(H,101,116)(H,102,120)(H,103,123)(H,104,122)(H,105,117)(H,106,119)(H,107,124)(H,108,125)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,64+,65+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | 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)) | BDBM50197017
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)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)C1Cc2ccccc2N1)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 |w:41.42,wU:76.79,77.82,4.4,94.97,20.28,61.64,114.117,wD:69.72,8.17,30.39,83.86,53.56,103.106,(13.65,3.52,;13.65,1.98,;14.98,1.21,;12.32,1.21,;12.32,-.33,;10.98,-1.09,;9.64,-.32,;9.64,1.22,;8.32,-1.09,;8.32,-2.63,;9.64,-3.4,;10.98,-2.63,;12.32,-3.4,;12.32,-4.94,;13.63,-5.7,;10.98,-5.71,;9.64,-4.94,;6.98,-.32,;5.65,-1.11,;5.65,-2.65,;4.33,-.34,;4.33,1.2,;5.65,1.97,;7.06,1.34,;8.09,2.49,;7.32,3.82,;5.82,3.51,;2.99,-1.1,;1.65,-.33,;1.65,1.21,;.32,-1.1,;.32,-2.64,;1.65,-3.41,;1.65,-4.95,;2.99,-5.72,;2.99,-7.26,;1.64,-8.02,;4.31,-8.02,;-1.01,-.33,;-2.34,-1.12,;-2.34,-2.66,;-3.66,-.36,;-3.83,1.18,;-5.33,1.49,;-6.09,2.82,;-7.63,2.82,;-8.4,1.48,;-7.63,.16,;-6.1,.16,;-5.07,-.98,;13.65,-1.1,;13.65,-2.64,;14.98,-.32,;16.31,-1.09,;16.31,-2.63,;17.64,-3.4,;18.96,-2.63,;17.64,-4.94,;17.64,-.32,;17.64,1.22,;18.97,-1.09,;20.31,-.33,;20.31,1.21,;21.64,1.98,;21.64,3.52,;22.98,1.21,;21.64,-1.1,;21.64,-2.64,;22.97,-.32,;24.3,-1.09,;24.3,-2.63,;25.63,-3.4,;22.97,-3.4,;25.63,-.32,;25.63,1.22,;26.97,-1.09,;28.3,-.32,;28.3,1.22,;26.97,1.99,;29.63,1.99,;29.63,-1.09,;29.63,-2.63,;30.96,-.32,;32.29,-1.09,;32.29,-2.63,;33.62,-3.4,;33.62,-4.94,;34.96,-5.7,;34.96,-7.24,;33.62,-8.01,;36.29,-8.01,;33.62,-.32,;33.62,1.22,;34.96,-1.08,;36.3,-.32,;36.3,1.22,;37.62,1.99,;37.62,3.53,;36.29,4.3,;38.96,4.3,;37.62,-1.09,;37.62,-2.63,;38.95,-.32,;40.29,-1.09,;40.29,-2.63,;41.62,-3.4,;41.62,-4.94,;42.95,-5.7,;42.95,-7.24,;41.61,-8.01,;44.29,-8.01,;41.62,-.32,;41.62,1.22,;42.95,-1.09,;44.29,-.32,;44.29,1.22,;45.62,1.99,;46.95,1.22,;48.29,1.99,;48.29,3.53,;49.62,4.3,;46.95,4.3,;45.62,3.53,;45.62,-1.09,;46.95,-.32,;45.62,-2.63,)| Show InChI InChI=1S/C81H123N27O18/c1-40(2)31-56(102-72(120)58(34-45-20-24-49(111)25-21-45)104-74(122)60(36-47-38-91-39-95-47)105-69(117)52(16-11-29-93-80(87)88)98-73(121)59-35-46-13-8-9-14-50(46)96-59)71(119)106-61(37-63(83)113)75(123)103-57(32-41(3)4)76(124)107-64(42(5)6)77(125)108-65(43(7)109)78(126)100-53(17-12-30-94-81(89)90)67(115)99-54(26-27-62(82)112)70(118)97-51(15-10-28-92-79(85)86)68(116)101-55(66(84)114)33-44-18-22-48(110)23-19-44/h8-9,13-14,18-25,38-43,51-61,64-65,96,109-111H,10-12,15-17,26-37H2,1-7H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,91,95)(H,97,118)(H,98,121)(H,99,115)(H,100,126)(H,101,116)(H,102,120)(H,103,123)(H,104,122)(H,105,117)(H,106,119)(H,107,124)(H,108,125)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,64+,65+/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 | 19 | 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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