Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50059996'   

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 (MOUSE)	BDBM50059996 (7 beta-Spirobenzocyclohexylhydromorphone | CHEMBL1...) Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C26H27NO3/c1-27-11-10-26-18-14-25(9-8-15-4-2-3-5-17(15)13-25)23(29)24(26)30-22-20(28)7-6-16(21(22)26)12-19(18)27/h2-7,18-19,24,28H,8-14H2,1H3/t18-,19?,24-,25+,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.				J Med Chem 40: 3064-70 (1997) Article DOI: 10.1021/jm970283e BindingDB Entry DOI: 10.7270/Q27D2T7R
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