Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105068'   

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))	BDBM50105068 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+] Show InChI InChI=1S/C21H19N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair