Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50017240'   

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 (Mus musculus (Mouse))	BDBM50017240 ((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...) Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity for mouse opioid receptor kappa				J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3
					More data for this Ligand-Target Pair