Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50194197'   

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))	BDBM50194197 (CHEMBL3923010) Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1 Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	211	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))	BDBM50194197 (CHEMBL3923010) Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1 Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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