Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50099199'   

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 1 (Homo sapiens (Human))	BDBM50099199 (CHEMBL413426 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-Tyr...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C110H170N32O26S2/c1-11-59(7)87(113)101(161)135-77(53-85(111)147)103(163)141-45-17-23-83(141)99(159)139-81(97(157)133-75(49-61-25-33-65(143)34-26-61)95(155)129-69(19-13-41-123-107(115)116)89(149)131-73(47-57(3)4)93(153)127-71(21-15-43-125-109(119)120)91(151)137-79(105(165)167-9)51-63-29-37-67(145)38-30-63)55-169-170-56-82(140-100(160)84-24-18-46-142(84)104(164)78(54-86(112)148)136-102(162)88(114)60(8)12-2)98(158)134-76(50-62-27-35-66(144)36-28-62)96(156)130-70(20-14-42-124-108(117)118)90(150)132-74(48-58(5)6)94(154)128-72(22-16-44-126-110(121)122)92(152)138-80(106(166)168-10)52-64-31-39-68(146)40-32-64/h25-40,57-60,69-84,87-88,143-146H,11-24,41-56,113-114H2,1-10H3,(H2,111,147)(H2,112,148)(H,127,153)(H,128,154)(H,129,155)(H,130,156)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,161)(H,136,162)(H,137,151)(H,138,152)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati and VA Medical Centers Curated by ChEMBL					Assay Description Affinity for cloned Y1 receptor using [125I]-PYY as radioligand				J Med Chem 44: 1479-82 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
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