Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50000277'   

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 (Homo sapiens (Human))	BDBM50000277 (1-(2-Allyl-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2(CC=C)CN2CCCC2)cc1Cl Show InChI InChI=1S/C21H28Cl2N2O/c1-2-9-21(16-24-11-5-6-12-24)10-3-4-13-25(21)20(26)15-17-7-8-18(22)19(23)14-17/h2,7-8,14H,1,3-6,9-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
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