Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50535334'   

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))	BDBM50535334 (CHEMBL4467875) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CN3CCc4ccccc4C3)cc12 |r| Show InChI InChI=1S/C30H36N4O2.C2HF3O2/c1-19-13-24(35)14-20(2)25(19)16-27(31)30(36)33-29-9-11-32-28-8-7-21(15-26(28)29)17-34-12-10-22-5-3-4-6-23(22)18-34;3-2(4,5)1(6)7/h3-8,13-15,27,29,32,35H,9-12,16-18,31H2,1-2H3,(H,33,36);(H,6,7)/t27-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes measured after 1 hr by liquid scintillation counti...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378 BindingDB Entry DOI: 10.7270/Q2542S2Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50535334 (CHEMBL4467875) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CN3CCc4ccccc4C3)cc12 |r| Show InChI InChI=1S/C30H36N4O2.C2HF3O2/c1-19-13-24(35)14-20(2)25(19)16-27(31)30(36)33-29-9-11-32-28-8-7-21(15-26(28)29)17-34-12-10-22-5-3-4-6-23(22)18-34;3-2(4,5)1(6)7/h3-8,13-15,27,29,32,35H,9-12,16-18,31H2,1-2H3,(H,33,36);(H,6,7)/t27-,29+;/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	90	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378 BindingDB Entry DOI: 10.7270/Q2542S2Q
					More data for this Ligand-Target Pair