Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50197016' 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)) | BDBM50197016
((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)C1CCCC(N)C1)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:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(13.62,-30.43,;13.62,-31.97,;14.96,-32.74,;12.29,-32.74,;12.29,-34.28,;10.95,-35.04,;9.62,-34.27,;9.62,-32.73,;8.29,-35.04,;8.29,-36.58,;9.62,-37.35,;10.95,-36.58,;12.29,-37.35,;12.29,-38.89,;13.6,-39.65,;10.95,-39.66,;9.62,-38.89,;6.95,-34.27,;5.63,-35.06,;5.63,-36.6,;4.3,-34.29,;4.3,-32.75,;5.63,-31.98,;7.03,-32.61,;8.07,-31.46,;7.3,-30.13,;5.79,-30.44,;2.96,-35.05,;1.62,-34.28,;1.62,-32.74,;.29,-35.05,;.29,-36.59,;1.62,-37.36,;1.62,-38.9,;2.96,-39.67,;2.97,-41.21,;1.62,-41.97,;4.28,-41.97,;-1.04,-34.28,;-2.37,-35.07,;-2.36,-36.61,;-3.7,-34.3,;-3.7,-32.76,;-5.03,-31.99,;-6.37,-32.76,;-6.36,-34.31,;-7.69,-35.09,;-5.03,-35.07,;13.62,-35.05,;13.62,-36.59,;14.95,-34.27,;16.28,-35.04,;16.28,-36.58,;17.61,-37.35,;18.94,-36.58,;17.61,-38.89,;17.61,-34.27,;17.61,-32.73,;18.94,-35.04,;20.28,-34.28,;20.28,-32.74,;21.61,-31.97,;21.61,-30.43,;22.95,-32.74,;21.61,-35.05,;21.61,-36.59,;22.94,-34.27,;24.27,-35.04,;24.27,-36.58,;25.6,-37.35,;22.94,-37.35,;25.6,-34.27,;25.6,-32.73,;26.94,-35.04,;28.27,-34.27,;28.27,-32.73,;26.94,-31.96,;29.6,-31.96,;29.6,-35.04,;29.6,-36.58,;30.93,-34.27,;32.26,-35.04,;32.26,-36.58,;33.59,-37.35,;33.59,-38.89,;34.93,-39.65,;34.93,-41.19,;33.59,-41.96,;36.27,-41.96,;33.59,-34.27,;33.59,-32.73,;34.93,-35.04,;36.27,-34.27,;36.27,-32.73,;37.59,-31.96,;37.59,-30.42,;36.26,-29.65,;38.93,-29.65,;37.59,-35.04,;37.59,-36.58,;38.93,-34.27,;40.26,-35.04,;40.26,-36.58,;41.59,-37.35,;41.59,-38.89,;42.92,-39.66,;42.92,-41.2,;41.59,-41.96,;44.26,-41.96,;41.59,-34.27,;41.59,-32.73,;42.92,-35.04,;44.26,-34.27,;44.26,-32.73,;45.59,-31.96,;46.92,-32.73,;48.26,-31.96,;48.26,-30.42,;49.59,-29.65,;46.92,-29.65,;45.59,-30.42,;45.59,-35.04,;46.92,-34.27,;45.59,-36.58,)| Show InChI InChI=1S/C79H127N27O18/c1-39(2)30-55(100-71(119)57(33-44-19-23-49(109)24-20-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(14-9-27-91-77(84)85)95-65(113)45-12-8-13-46(80)34-45)70(118)104-59(36-61(82)111)73(121)101-56(31-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(16-11-29-93-79(88)89)66(114)97-53(25-26-60(81)110)69(117)96-51(15-10-28-92-78(86)87)67(115)99-54(64(83)112)32-43-17-21-48(108)22-18-43/h17-24,37-42,45-46,50-59,62-63,107-109H,8-16,25-36,80H2,1-7H3,(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-,45?,46?,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
| 110 | 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)) | BDBM50197016
((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)C1CCCC(N)C1)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:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(13.62,-30.43,;13.62,-31.97,;14.96,-32.74,;12.29,-32.74,;12.29,-34.28,;10.95,-35.04,;9.62,-34.27,;9.62,-32.73,;8.29,-35.04,;8.29,-36.58,;9.62,-37.35,;10.95,-36.58,;12.29,-37.35,;12.29,-38.89,;13.6,-39.65,;10.95,-39.66,;9.62,-38.89,;6.95,-34.27,;5.63,-35.06,;5.63,-36.6,;4.3,-34.29,;4.3,-32.75,;5.63,-31.98,;7.03,-32.61,;8.07,-31.46,;7.3,-30.13,;5.79,-30.44,;2.96,-35.05,;1.62,-34.28,;1.62,-32.74,;.29,-35.05,;.29,-36.59,;1.62,-37.36,;1.62,-38.9,;2.96,-39.67,;2.97,-41.21,;1.62,-41.97,;4.28,-41.97,;-1.04,-34.28,;-2.37,-35.07,;-2.36,-36.61,;-3.7,-34.3,;-3.7,-32.76,;-5.03,-31.99,;-6.37,-32.76,;-6.36,-34.31,;-7.69,-35.09,;-5.03,-35.07,;13.62,-35.05,;13.62,-36.59,;14.95,-34.27,;16.28,-35.04,;16.28,-36.58,;17.61,-37.35,;18.94,-36.58,;17.61,-38.89,;17.61,-34.27,;17.61,-32.73,;18.94,-35.04,;20.28,-34.28,;20.28,-32.74,;21.61,-31.97,;21.61,-30.43,;22.95,-32.74,;21.61,-35.05,;21.61,-36.59,;22.94,-34.27,;24.27,-35.04,;24.27,-36.58,;25.6,-37.35,;22.94,-37.35,;25.6,-34.27,;25.6,-32.73,;26.94,-35.04,;28.27,-34.27,;28.27,-32.73,;26.94,-31.96,;29.6,-31.96,;29.6,-35.04,;29.6,-36.58,;30.93,-34.27,;32.26,-35.04,;32.26,-36.58,;33.59,-37.35,;33.59,-38.89,;34.93,-39.65,;34.93,-41.19,;33.59,-41.96,;36.27,-41.96,;33.59,-34.27,;33.59,-32.73,;34.93,-35.04,;36.27,-34.27,;36.27,-32.73,;37.59,-31.96,;37.59,-30.42,;36.26,-29.65,;38.93,-29.65,;37.59,-35.04,;37.59,-36.58,;38.93,-34.27,;40.26,-35.04,;40.26,-36.58,;41.59,-37.35,;41.59,-38.89,;42.92,-39.66,;42.92,-41.2,;41.59,-41.96,;44.26,-41.96,;41.59,-34.27,;41.59,-32.73,;42.92,-35.04,;44.26,-34.27,;44.26,-32.73,;45.59,-31.96,;46.92,-32.73,;48.26,-31.96,;48.26,-30.42,;49.59,-29.65,;46.92,-29.65,;45.59,-30.42,;45.59,-35.04,;46.92,-34.27,;45.59,-36.58,)| Show InChI InChI=1S/C79H127N27O18/c1-39(2)30-55(100-71(119)57(33-44-19-23-49(109)24-20-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(14-9-27-91-77(84)85)95-65(113)45-12-8-13-46(80)34-45)70(118)104-59(36-61(82)111)73(121)101-56(31-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(16-11-29-93-79(88)89)66(114)97-53(25-26-60(81)110)69(117)96-51(15-10-28-92-78(86)87)67(115)99-54(64(83)112)32-43-17-21-48(108)22-18-43/h17-24,37-42,45-46,50-59,62-63,107-109H,8-16,25-36,80H2,1-7H3,(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-,45?,46?,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 | 82 | 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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