Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50017499'   

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))	BDBM50017499 (2-Benzo[b]thiophen-3-yl-N-methyl-N-(2-pyrrolidin-1...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1csc2ccccc12 Show InChI InChI=1S/C21H28N2OS/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair