Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272254'   

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))	BDBM50272254 (1-(4-benzoyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-...) Show SMILES CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H30Cl2N4O2/c1-28(20-9-10-22(26)23(27)15-20)18-24(32)31-14-13-30(25(33)19-7-3-2-4-8-19)17-21(31)16-29-11-5-6-12-29/h2-4,7-10,15,21H,5-6,11-14,16-18H2,1H3	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	7.90E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 18: 4470-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.067 BindingDB Entry DOI: 10.7270/Q2TH8MHF
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