Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50003051'   

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))	BDBM50003051 (CHEMBL385339 | c(2,27)Tyr-Glu-Ser-Lys-Pro-Dpr-Leu-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C104H168N34O27/c1-12-53(7)79(96(160)134-81(56(10)140)97(161)125-65(23-18-40-118-103(113)114)84(148)124-66(33-35-76(107)143)87(151)122-64(22-17-39-117-102(111)112)86(150)131-73(99(163)164)45-58-27-31-61(142)32-28-58)133-91(155)70(43-52(5)6)128-90(154)72(47-77(108)144)130-95(159)80(54(8)13-2)135-100(165)104(11)136-78(145)36-34-67(121-83(147)62(106)44-57-25-29-60(141)30-26-57)88(152)132-74(49-139)92(156)126-68(20-14-15-37-105)98(162)138-41-19-24-75(138)94(158)120-55(9)82(146)127-69(42-51(3)4)89(153)123-63(21-16-38-116-101(109)110)85(149)129-71(93(157)137-104)46-59-48-115-50-119-59/h25-32,48,50-56,62-75,79-81,139-142H,12-24,33-47,49,105-106H2,1-11H3,(H2,107,143)(H2,108,144)(H,115,119)(H,120,158)(H,121,147)(H,122,151)(H,123,153)(H,124,148)(H,125,161)(H,126,156)(H,127,146)(H,128,154)(H,129,149)(H,130,159)(H,131,150)(H,132,152)(H,133,155)(H,134,160)(H,135,165)(H,136,145)(H,137,157)(H,163,164)(H4,109,110,116)(H4,111,112,117)(H4,113,114,118)/t53-,54-,55+,56+,62-,63+,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75-,79-,80-,81-,104-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Displacement of l25I-PYY from Neuropeptide Y receptor type 2 of human neuroblastoma SK-N-BE cells				J Med Chem 35: 3653-9 (1992) BindingDB Entry DOI: 10.7270/Q2QZ2BK9
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