Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105060'   

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))	BDBM50105060 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12 Show InChI InChI=1S/C21H22ClN3O3/c22-16-10-20-19(27-13-28-20)9-14(16)12-24-7-5-15(6-8-24)25-18-4-2-1-3-17(18)23-11-21(25)26/h1-4,9-10,15,23H,5-8,11-13H2	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 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