Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50010533'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50010533 (2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	738	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
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