Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50000278'   

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))	BDBM50000278 (2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...				J Med Chem 34: 397-403 (1991) BindingDB Entry DOI: 10.7270/Q23777N1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000278 (2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	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
					More data for this Ligand-Target Pair