Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50291971'   

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))	BDBM50291971 (3-(4-Hydroxy-phenyl)-N-{(S)-1-[4-(3-hydroxy-phenyl...) Show SMILES CC(C)C[C@@H](CN1CCC(C)(C(C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C28H40N2O3/c1-20(2)16-24(29-27(33)13-10-22-8-11-25(31)12-9-22)19-30-15-14-28(4,21(3)18-30)23-6-5-7-26(32)17-23/h5-9,11-12,17,20-21,24,31-32H,10,13-16,18-19H2,1-4H3,(H,29,33)/t21?,24-,28?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity determined on Opioid receptor kappa 1 in Guinea pig brain membranes using radioligand [3H]U-69593				J Med Chem 41: 5188-97 (1999) Article DOI: 10.1021/jm980511k BindingDB Entry DOI: 10.7270/Q2P26ZT4
					More data for this Ligand-Target Pair