null

SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1

InChI Key InChIKey=NRQVLVGDMUNLPF-CCLHPLFOSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50353392   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMT: 2°CAssay Description:The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylati...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353392(CHEMBL1829761 | US8575157, 197 | US8592410, Compar...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CYP3A4 assessed as rate of [14C]-formaldehyde/formic acid production by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed