Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50064525'   

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))	BDBM50064525 (3-((3R,4R)-1-Benzofuran-2-ylmethyl-3,4-dimethyl-pi...) Show SMILES C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H25NO2/c1-16-14-23(15-20-12-17-6-3-4-9-21(17)25-20)11-10-22(16,2)18-7-5-8-19(24)13-18/h3-9,12-13,16,24H,10-11,14-15H2,1-2H3/t16-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>690	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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