null

SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F

InChI Key InChIKey=SLSMHOGJKAPYQU-QLXKLKPCSA-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 3 hits for monomerid = 50353386   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 4.10E+3nMT: 2°CAssay Description:Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+3nMAssay Description:The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9NRNUS Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent
LigandPNGBDBM50353386(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P26ZH3PubMed