null

SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(NC(C)=O)cc2n1

InChI Key

  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 9 hits for monomerid = 50546729   

TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 8.34E+3nMAssay Description:Inhibition of recombinant N-terminal FLAG-tagged full-length human PI3K p110alpha/human p85alpha co- expressed in Sf9 insect cells using phosphatidyl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant N-terminal His-tagged full-length human PI3K p120gamma expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphos...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 150nMAssay Description:Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at S473 residue incubated for 60 mins by alphalisa assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed
LigandPNGBDBM50546729(CHEMBL4785086)copy SMILES
Affinity DataIC50: 2.61E+3nMAssay Description:Inhibition of recombinant N-terminal GST-tagged full-length human PI3K p110delta/p85alpha co- expressed in Sf9 insect cells using phosphatidylinosito...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35Z80PubMed