Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50325873'   

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))	BDBM50325873 (CHEMBL1224217 | endo-6-((1R,5S)-8-benzyl-8-azabicy...) Show SMILES NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1 |r,TLB:16:15:14.8.9:12.11| Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-6-9-19(22-12-15)25-18-10-16-7-8-17(11-18)23(16)13-14-4-2-1-3-5-14/h1-6,9,12,16-18H,7-8,10-11,13H2,(H2,21,24)/t16-,17+,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	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 expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ
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