Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50061392'   

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))	BDBM50061392 (CHEMBL3393070) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C21H22N8O/c30-20(16-7-5-6-15(14-16)19-24-26-27-25-19)23-21-22-17-8-1-2-9-18(17)29(21)13-12-28-10-3-4-11-28/h1-2,5-9,14H,3-4,10-13H2,(H,22,23,30)(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
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