Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50064517'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50064517 (3-[(3R,4R)-1-(3-Hydroxy-3-phenyl-cyclohexyl)-3,4-d...) Show SMILES C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-19-18-26(15-14-24(19,2)21-10-6-12-23(27)16-21)22-11-7-13-25(28,17-22)20-8-4-3-5-9-20/h3-6,8-10,12,16,19,22,27-28H,7,11,13-15,17-18H2,1-2H3/t19-,22?,24+,25?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]U69,593 binding to Opioid receptor kappa 1 of guinea pig membranes				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
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