BDBM50237125 CHEMBL4075766

SMILES Cc1ccc(cc1F)-c1ccc([nH]1)C(=O)NC(CN)c1ncc(CO)s1

InChI Key InChIKey=NRGUFSUZRVPWQZ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50237125   

TargetCytochrome P450 3A4(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237125(CHEMBL4075766)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237125(CHEMBL4075766)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 60 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237125(CHEMBL4075766)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237125(CHEMBL4075766)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 60 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed