Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50008893'   

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))	BDBM50008893 (2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...) Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
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