Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50240965'   

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))	BDBM50240965 (CHEMBL4084291) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)cc1 Show InChI InChI=1S/C23H31NO2/c25-22-11-9-19(10-12-22)13-15-24(18-21-5-2-1-3-6-21)16-14-20-7-4-8-23(26)17-20/h4,7-12,17,21,25-26H,1-3,5-6,13-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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 method				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50240965 (CHEMBL4084291) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)cc1 Show InChI InChI=1S/C23H31NO2/c25-22-11-9-19(10-12-22)13-15-24(18-21-5-2-1-3-6-21)16-14-20-7-4-8-23(26)17-20/h4,7-12,17,21,25-26H,1-3,5-6,13-16,18H2	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	22	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 binding assay				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair