Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50521434'   

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))	BDBM50521434 (CHEMBL4443946) Show SMILES OC(=O)C(F)(F)F.CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C27H32N2O2.C2HF3O2/c1-4-26(22-12-8-11-21(16-22)15-20-9-6-5-7-10-20)29-27(31)25(28)17-24-18(2)13-23(30)14-19(24)3;3-2(4,5)1(6)7/h5-14,16,25-26,30H,4,15,17,28H2,1-3H3,(H,29,31);(H,6,7)/t25-,26+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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))	BDBM50521434 (CHEMBL4443946) Show SMILES OC(=O)C(F)(F)F.CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C27H32N2O2.C2HF3O2/c1-4-26(22-12-8-11-21(16-22)15-20-9-6-5-7-10-20)29-27(31)25(28)17-24-18(2)13-23(30)14-19(24)3;3-2(4,5)1(6)7/h5-14,16,25-26,30H,4,15,17,28H2,1-3H3,(H,29,31);(H,6,7)/t25-,26+;/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	2.20E+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