Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50205095' 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)) | BDBM50205095
((S)-2-((S)-2-((2S,3R)-2-((S)-2-((S)-2-((S)-2-((S)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)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](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:84.87,51.52,101.102,29.28,67.68,121.122,4.4,83.84,wD:8.10,39.39,18.17,90.91,59.60,110.111,75.76,(-8.63,-37.13,;-8.63,-38.67,;-7.29,-39.44,;-9.96,-39.44,;-9.96,-40.98,;-11.29,-41.76,;-12.63,-40.99,;-12.63,-39.45,;-13.96,-41.76,;-13.96,-43.3,;-15.3,-44.07,;-15.29,-40.99,;-16.63,-41.76,;-17.96,-40.99,;-16.63,-43.3,;-8.63,-41.75,;-8.63,-43.29,;-7.3,-40.98,;-5.97,-41.77,;-5.97,-43.31,;-4.63,-44.08,;-4.63,-45.62,;-3.28,-46.37,;-3.3,-47.91,;-4.64,-48.68,;-1.96,-48.68,;-4.63,-41,;-4.63,-39.46,;-3.28,-41.75,;-1.95,-40.98,;-1.95,-39.44,;-.61,-38.67,;.8,-39.31,;1.83,-38.16,;1.06,-36.83,;-.45,-37.14,;-.61,-41.75,;-.61,-43.29,;.72,-40.97,;2.06,-41.74,;2.06,-43.28,;3.38,-44.05,;4.71,-43.28,;6.04,-44.05,;6.04,-45.59,;7.37,-46.35,;4.71,-46.36,;3.38,-45.59,;3.38,-40.97,;3.38,-39.43,;4.72,-41.74,;6.05,-40.96,;6.05,-39.42,;7.39,-38.65,;7.39,-37.11,;8.74,-39.42,;7.39,-41.73,;7.39,-43.27,;8.73,-40.97,;10.05,-41.76,;10.05,-43.3,;11.39,-44.07,;12.73,-43.28,;11.39,-45.61,;11.39,-40.99,;11.39,-39.45,;12.73,-41.75,;14.07,-40.98,;14.07,-39.44,;15.41,-38.67,;15.41,-37.13,;16.74,-39.44,;15.41,-41.75,;15.41,-43.29,;16.75,-40.98,;18.08,-41.75,;18.07,-43.29,;19.41,-44.07,;19.41,-45.61,;20.75,-43.31,;19.42,-40.98,;19.42,-39.44,;20.75,-41.76,;22.09,-40.98,;22.09,-39.44,;20.76,-38.67,;23.39,-38.65,;23.43,-41.75,;23.43,-43.29,;24.75,-40.96,;26.08,-41.73,;26.08,-43.27,;27.42,-44.04,;27.42,-45.58,;28.75,-46.35,;28.8,-47.89,;27.42,-48.64,;30.1,-48.65,;27.42,-40.96,;27.42,-39.42,;28.75,-41.73,;30.1,-40.99,;30.1,-39.45,;31.44,-38.68,;31.44,-37.14,;30.09,-36.36,;32.77,-36.37,;31.44,-41.76,;31.44,-43.3,;32.77,-40.98,;34.1,-41.76,;34.1,-43.3,;35.44,-44.07,;35.44,-45.61,;36.77,-46.37,;36.79,-47.91,;35.44,-48.67,;38.11,-48.67,;35.44,-40.99,;35.44,-39.45,;36.77,-41.76,;38.11,-40.99,;38.11,-39.45,;39.44,-38.68,;40.78,-39.45,;42.11,-38.68,;42.11,-37.14,;43.45,-36.37,;40.78,-36.37,;39.44,-37.14,;39.44,-41.76,;40.78,-40.99,;39.44,-43.3,)| Show InChI InChI=1S/C84H136N28O20S/c1-41(2)30-57(108-80(131)64(39-133)99-46(10)114)73(124)101-53(15-12-28-96-83(90)91)71(122)110-62(36-49-38-94-40-98-49)77(128)109-61(35-48-19-23-51(116)24-20-48)76(127)105-59(32-43(5)6)75(126)111-63(37-66(86)118)78(129)106-58(31-42(3)4)74(125)107-60(33-44(7)8)79(130)112-67(45(9)113)81(132)103-54(16-13-29-97-84(92)93)69(120)102-55(25-26-65(85)117)72(123)100-52(14-11-27-95-82(88)89)70(121)104-56(68(87)119)34-47-17-21-50(115)22-18-47/h17-24,38,40-45,52-64,67,113,115-116,133H,11-16,25-37,39H2,1-10H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,114)(H,100,123)(H,101,124)(H,102,120)(H,103,132)(H,104,121)(H,105,127)(H,106,129)(H,107,125)(H,108,131)(H,109,128)(H,110,122)(H,111,126)(H,112,130)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,67+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | 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 receptor in KAN-TS cells by SPA assay |
Bioorg Med Chem Lett 17: 1916-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50205095
((S)-2-((S)-2-((2S,3R)-2-((S)-2-((S)-2-((S)-2-((S)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)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](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:84.87,51.52,101.102,29.28,67.68,121.122,4.4,83.84,wD:8.10,39.39,18.17,90.91,59.60,110.111,75.76,(-8.63,-37.13,;-8.63,-38.67,;-7.29,-39.44,;-9.96,-39.44,;-9.96,-40.98,;-11.29,-41.76,;-12.63,-40.99,;-12.63,-39.45,;-13.96,-41.76,;-13.96,-43.3,;-15.3,-44.07,;-15.29,-40.99,;-16.63,-41.76,;-17.96,-40.99,;-16.63,-43.3,;-8.63,-41.75,;-8.63,-43.29,;-7.3,-40.98,;-5.97,-41.77,;-5.97,-43.31,;-4.63,-44.08,;-4.63,-45.62,;-3.28,-46.37,;-3.3,-47.91,;-4.64,-48.68,;-1.96,-48.68,;-4.63,-41,;-4.63,-39.46,;-3.28,-41.75,;-1.95,-40.98,;-1.95,-39.44,;-.61,-38.67,;.8,-39.31,;1.83,-38.16,;1.06,-36.83,;-.45,-37.14,;-.61,-41.75,;-.61,-43.29,;.72,-40.97,;2.06,-41.74,;2.06,-43.28,;3.38,-44.05,;4.71,-43.28,;6.04,-44.05,;6.04,-45.59,;7.37,-46.35,;4.71,-46.36,;3.38,-45.59,;3.38,-40.97,;3.38,-39.43,;4.72,-41.74,;6.05,-40.96,;6.05,-39.42,;7.39,-38.65,;7.39,-37.11,;8.74,-39.42,;7.39,-41.73,;7.39,-43.27,;8.73,-40.97,;10.05,-41.76,;10.05,-43.3,;11.39,-44.07,;12.73,-43.28,;11.39,-45.61,;11.39,-40.99,;11.39,-39.45,;12.73,-41.75,;14.07,-40.98,;14.07,-39.44,;15.41,-38.67,;15.41,-37.13,;16.74,-39.44,;15.41,-41.75,;15.41,-43.29,;16.75,-40.98,;18.08,-41.75,;18.07,-43.29,;19.41,-44.07,;19.41,-45.61,;20.75,-43.31,;19.42,-40.98,;19.42,-39.44,;20.75,-41.76,;22.09,-40.98,;22.09,-39.44,;20.76,-38.67,;23.39,-38.65,;23.43,-41.75,;23.43,-43.29,;24.75,-40.96,;26.08,-41.73,;26.08,-43.27,;27.42,-44.04,;27.42,-45.58,;28.75,-46.35,;28.8,-47.89,;27.42,-48.64,;30.1,-48.65,;27.42,-40.96,;27.42,-39.42,;28.75,-41.73,;30.1,-40.99,;30.1,-39.45,;31.44,-38.68,;31.44,-37.14,;30.09,-36.36,;32.77,-36.37,;31.44,-41.76,;31.44,-43.3,;32.77,-40.98,;34.1,-41.76,;34.1,-43.3,;35.44,-44.07,;35.44,-45.61,;36.77,-46.37,;36.79,-47.91,;35.44,-48.67,;38.11,-48.67,;35.44,-40.99,;35.44,-39.45,;36.77,-41.76,;38.11,-40.99,;38.11,-39.45,;39.44,-38.68,;40.78,-39.45,;42.11,-38.68,;42.11,-37.14,;43.45,-36.37,;40.78,-36.37,;39.44,-37.14,;39.44,-41.76,;40.78,-40.99,;39.44,-43.3,)| Show InChI InChI=1S/C84H136N28O20S/c1-41(2)30-57(108-80(131)64(39-133)99-46(10)114)73(124)101-53(15-12-28-96-83(90)91)71(122)110-62(36-49-38-94-40-98-49)77(128)109-61(35-48-19-23-51(116)24-20-48)76(127)105-59(32-43(5)6)75(126)111-63(37-66(86)118)78(129)106-58(31-42(3)4)74(125)107-60(33-44(7)8)79(130)112-67(45(9)113)81(132)103-54(16-13-29-97-84(92)93)69(120)102-55(25-26-65(85)117)72(123)100-52(14-11-27-95-82(88)89)70(121)104-56(68(87)119)34-47-17-21-50(115)22-18-47/h17-24,38,40-45,52-64,67,113,115-116,133H,11-16,25-37,39H2,1-10H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,114)(H,100,123)(H,101,124)(H,102,120)(H,103,132)(H,104,121)(H,105,127)(H,106,129)(H,107,125)(H,108,131)(H,109,128)(H,110,122)(H,111,126)(H,112,130)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,67+/m1/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 | 33 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at human NPY2 receptor in KAN-TS cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 1916-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0 |
More data for this
Ligand-Target Pair | |
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