Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50064526'   

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))	BDBM50064526 (3-((3R,4R)-1-Cyclopentyl-3,4-dimethyl-piperidin-4-...) Show SMILES C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC1 Show InChI InChI=1S/C18H27NO/c1-14-13-19(16-7-3-4-8-16)11-10-18(14,2)15-6-5-9-17(20)12-15/h5-6,9,12,14,16,20H,3-4,7-8,10-11,13H2,1-2H3/t14-,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	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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