Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50327243'   

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))	BDBM50327243 (CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...) Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17-	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	215	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5847-52 (2010) Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1
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