Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50369464'   

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))	BDBM50369464 (CHEMBL124207) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |c:12,TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24| Show InChI InChI=1S/C31H45N3O/c1-21(31-16-23-12-24(17-31)14-25(13-23)18-31)34-27(15-22-8-10-28(35-2)11-9-22)20-33-29(19-32-30(33)34)26-6-4-3-5-7-26/h8-11,21,23-27,29H,3-7,12-20H2,1-2H3/t21?,23?,24?,25?,27-,29-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair