Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50521438'   

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))	BDBM50521438 (CHEMBL4538540) Show SMILES OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-12-23(29)13-18(2)24(17)16-25(27)26(30)28-19(3)22-11-7-10-21(15-22)14-20-8-5-4-6-9-20;3-2(4,5)1(6)7/h4-13,15,19,25,29H,14,16,27H2,1-3H3,(H,28,30);(H,6,7)/t19-,25+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	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 kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219 BindingDB Entry DOI: 10.7270/Q23R0X7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50521438 (CHEMBL4538540) Show SMILES OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-12-23(29)13-18(2)24(17)16-25(27)26(30)28-19(3)22-11-7-10-21(15-22)14-20-8-5-4-6-9-20;3-2(4,5)1(6)7/h4-13,15,19,25,29H,14,16,27H2,1-3H3,(H,28,30);(H,6,7)/t19-,25+;/m1./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	>1.70E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human kappa-type opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for ...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219 BindingDB Entry DOI: 10.7270/Q23R0X7F
					More data for this Ligand-Target Pair