Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50197022' 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)) | BDBM50197022
((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)c1ccc(N)c(C)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 |wU:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(11.41,4.2,;11.41,2.66,;12.75,1.89,;10.08,1.89,;10.08,.35,;8.74,-.4,;7.4,.36,;7.4,1.9,;6.08,-.41,;6.08,-1.95,;7.4,-2.72,;8.74,-1.95,;10.08,-2.72,;10.08,-4.26,;11.39,-5.02,;8.74,-5.03,;7.4,-4.26,;4.74,.36,;3.41,-.42,;3.41,-1.96,;2.09,.35,;2.09,1.89,;3.41,2.66,;4.82,2.03,;5.86,3.18,;5.09,4.51,;3.58,4.19,;.75,-.41,;-.59,.36,;-.59,1.9,;-1.92,-.41,;-1.92,-1.95,;-.59,-2.72,;-.59,-4.26,;.75,-5.03,;.75,-6.57,;-.6,-7.34,;2.07,-7.34,;-3.25,.35,;-4.58,-.43,;-4.57,-1.97,;-5.91,.33,;-5.91,1.87,;-7.24,2.64,;-8.58,1.87,;-9.91,2.64,;-8.57,.32,;-9.9,-.45,;-7.24,-.44,;11.41,-.42,;11.41,-1.96,;12.74,.36,;14.07,-.41,;14.07,-1.95,;15.4,-2.72,;16.72,-1.94,;15.4,-4.26,;15.4,.36,;15.4,1.9,;16.73,-.41,;18.07,.36,;18.07,1.9,;19.4,2.67,;19.4,4.21,;20.74,1.9,;19.4,-.41,;19.4,-1.95,;20.73,.36,;22.06,-.41,;22.06,-1.95,;23.39,-2.72,;20.73,-2.72,;23.39,.36,;23.39,1.9,;24.73,-.41,;26.06,.36,;26.06,1.9,;24.73,2.67,;27.39,2.68,;27.39,-.41,;27.39,-1.95,;28.72,.37,;30.05,-.41,;30.05,-1.95,;31.38,-2.72,;31.38,-4.26,;32.72,-5.02,;32.72,-6.56,;31.38,-7.32,;34.05,-7.32,;31.38,.36,;31.38,1.9,;32.72,-.4,;34.06,.36,;34.06,1.9,;35.38,2.67,;35.38,4.21,;34.05,4.99,;36.72,4.98,;35.38,-.41,;35.38,-1.95,;36.72,.37,;38.05,-.41,;38.05,-1.95,;39.38,-2.72,;39.38,-4.26,;40.71,-5.02,;40.71,-6.56,;39.38,-7.32,;42.05,-7.32,;39.38,.36,;39.38,1.9,;40.71,-.4,;42.05,.36,;42.05,1.9,;43.38,2.67,;44.71,1.9,;46.05,2.67,;46.05,4.21,;47.38,4.98,;44.71,4.98,;43.38,4.21,;43.38,-.41,;44.71,.36,;43.38,-1.95,)| Show InChI InChI=1S/C80H123N27O18/c1-39(2)30-56(101-72(120)58(34-45-17-22-49(110)23-18-45)103-73(121)59(35-47-37-91-38-95-47)104-69(117)51(12-9-27-92-78(85)86)96-66(114)46-19-24-50(81)42(7)32-46)71(119)105-60(36-62(83)112)74(122)102-57(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(43(8)108)77(125)99-53(14-11-29-94-80(89)90)67(115)98-54(25-26-61(82)111)70(118)97-52(13-10-28-93-79(87)88)68(116)100-55(65(84)113)33-44-15-20-48(109)21-16-44/h15-24,32,37-41,43,51-60,63-64,108-110H,9-14,25-31,33-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+,64+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | 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)) | BDBM50197022
((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)c1ccc(N)c(C)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 |wU:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(11.41,4.2,;11.41,2.66,;12.75,1.89,;10.08,1.89,;10.08,.35,;8.74,-.4,;7.4,.36,;7.4,1.9,;6.08,-.41,;6.08,-1.95,;7.4,-2.72,;8.74,-1.95,;10.08,-2.72,;10.08,-4.26,;11.39,-5.02,;8.74,-5.03,;7.4,-4.26,;4.74,.36,;3.41,-.42,;3.41,-1.96,;2.09,.35,;2.09,1.89,;3.41,2.66,;4.82,2.03,;5.86,3.18,;5.09,4.51,;3.58,4.19,;.75,-.41,;-.59,.36,;-.59,1.9,;-1.92,-.41,;-1.92,-1.95,;-.59,-2.72,;-.59,-4.26,;.75,-5.03,;.75,-6.57,;-.6,-7.34,;2.07,-7.34,;-3.25,.35,;-4.58,-.43,;-4.57,-1.97,;-5.91,.33,;-5.91,1.87,;-7.24,2.64,;-8.58,1.87,;-9.91,2.64,;-8.57,.32,;-9.9,-.45,;-7.24,-.44,;11.41,-.42,;11.41,-1.96,;12.74,.36,;14.07,-.41,;14.07,-1.95,;15.4,-2.72,;16.72,-1.94,;15.4,-4.26,;15.4,.36,;15.4,1.9,;16.73,-.41,;18.07,.36,;18.07,1.9,;19.4,2.67,;19.4,4.21,;20.74,1.9,;19.4,-.41,;19.4,-1.95,;20.73,.36,;22.06,-.41,;22.06,-1.95,;23.39,-2.72,;20.73,-2.72,;23.39,.36,;23.39,1.9,;24.73,-.41,;26.06,.36,;26.06,1.9,;24.73,2.67,;27.39,2.68,;27.39,-.41,;27.39,-1.95,;28.72,.37,;30.05,-.41,;30.05,-1.95,;31.38,-2.72,;31.38,-4.26,;32.72,-5.02,;32.72,-6.56,;31.38,-7.32,;34.05,-7.32,;31.38,.36,;31.38,1.9,;32.72,-.4,;34.06,.36,;34.06,1.9,;35.38,2.67,;35.38,4.21,;34.05,4.99,;36.72,4.98,;35.38,-.41,;35.38,-1.95,;36.72,.37,;38.05,-.41,;38.05,-1.95,;39.38,-2.72,;39.38,-4.26,;40.71,-5.02,;40.71,-6.56,;39.38,-7.32,;42.05,-7.32,;39.38,.36,;39.38,1.9,;40.71,-.4,;42.05,.36,;42.05,1.9,;43.38,2.67,;44.71,1.9,;46.05,2.67,;46.05,4.21,;47.38,4.98,;44.71,4.98,;43.38,4.21,;43.38,-.41,;44.71,.36,;43.38,-1.95,)| Show InChI InChI=1S/C80H123N27O18/c1-39(2)30-56(101-72(120)58(34-45-17-22-49(110)23-18-45)103-73(121)59(35-47-37-91-38-95-47)104-69(117)51(12-9-27-92-78(85)86)96-66(114)46-19-24-50(81)42(7)32-46)71(119)105-60(36-62(83)112)74(122)102-57(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(43(8)108)77(125)99-53(14-11-29-94-80(89)90)67(115)98-54(25-26-61(82)111)70(118)97-52(13-10-28-93-79(87)88)68(116)100-55(65(84)113)33-44-15-20-48(109)21-16-44/h15-24,32,37-41,43,51-60,63-64,108-110H,9-14,25-31,33-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+,64+/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 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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