Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50185314'   

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))	BDBM50185314 (CHEMBL3822963) Show SMILES COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r| Show InChI InChI=1S/C30H35N3O4/c1-19-13-23(34)14-20(2)24(19)17-26(31)30(36)32-27-11-12-33(29(35)18-37-3)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17-18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 after 1 hr by liquid scintillation counting				J Med Chem 59: 4985-98 (2016) Article DOI: 10.1021/acs.jmedchem.6b00308 BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50185314 (CHEMBL3822963) Show SMILES COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r| Show InChI InChI=1S/C30H35N3O4/c1-19-13-23(34)14-20(2)24(19)17-26(31)30(36)32-27-11-12-33(29(35)18-37-3)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17-18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1	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	>1.70E+3	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 after 1 hr by [35S]GTPgammaS assay				J Med Chem 59: 4985-98 (2016) Article DOI: 10.1021/acs.jmedchem.6b00308 BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair