Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50017505'   

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))	BDBM50017505 (2-Benzo[b]thiophen-4-yl-N-(2-pyrrolidin-1-yl-cyclo...) Show SMILES O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C20H26N2OS/c23-20(14-15-6-5-9-19-16(15)10-13-24-19)21-17-7-1-2-8-18(17)22-11-3-4-12-22/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2,(H,21,23)/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	333	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
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