Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50126765'   

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 (Rattus norvegicus (rat))	BDBM50126765 (3,7-Dimethyl-2,4-di-pyridin-2-yl-3,7-diaza-bicyclo...) Show SMILES CN1CC2C(N(C)C(C(C1)C2=O)c1ccccn1)c1ccccn1 |TLB:18:4:10:1.2.9,11:10:5.7.4:1.2.9,6:5:10:1.2.9,THB:12:7:10:1.2.9,0:1:10:5.7.4| Show InChI InChI=1S/C19H22N4O/c1-22-11-13-17(15-7-3-5-9-20-15)23(2)18(14(12-22)19(13)24)16-8-4-6-10-21-16/h3-10,13-14,17-18H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Würzburg Curated by ChEMBL					Assay Description Binding affinity towards KOR (Opioid receptor kappa 1) using [3H]-CI977 as radioligand in rat brain				J Med Chem 46: 1383-9 (2003) Article DOI: 10.1021/jm0210360 BindingDB Entry DOI: 10.7270/Q2571BDG
					More data for this Ligand-Target Pair