BDBM50464136 CHEMBL4249798

SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1

InChI Key InChIKey=KESMRFWRGXZDEF-KIHHCIJBSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50464136   

TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed