Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50276496'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276496 (3-chloro-N-(2-methoxyethyl)-N-((1R,2R)-2-(4-phenyl...) Show SMILES COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7| Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
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