Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50520472'   

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))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520472 (CHEMBL4437661) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CC3CC3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H35N3O3.C2HF3O2/c1-4-32-25-6-5-18(13-29-14-20-10-21(20)15-29)9-19(25)12-28-26(31)24(27)11-23-16(2)7-22(30)8-17(23)3;3-2(4,5)1(6)7/h5-9,20-21,24,30H,4,10-15,27H2,1-3H3,(H,28,31);(H,6,7)/t20?,21?,24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair