Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50001106'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50001106 (2-(3,4-Dichloro-phenyl)-1-(4,4-dimethyl-1-pyrrolid...) Show SMILES CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Receptor binding affinity towards opioid receptor kappa				J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7
					More data for this Ligand-Target Pair