Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105111'   

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))	BDBM50105111 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O Show InChI InChI=1S/C21H20ClN3O4/c22-15-10-19-18(28-12-29-19)9-13(15)11-24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(26)21(25)27/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	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 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair