Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50132641'   

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))	BDBM50132641 (4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...) Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Antagonistic activity against opioid receptor mu1				Bioorg Med Chem Lett 13: 3247-52 (2003) BindingDB Entry DOI: 10.7270/Q2K936XQ
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