Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50194198'   

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))	BDBM50194198 (CHEMBL3890511) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1 Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194198 (CHEMBL3890511) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1 Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	109	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair