null

SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]cc(-c3ccncc3)c2c1

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 7 hits for monomerid = 50561837   

LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 220nMAssay Description:Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at S473 residue incubated for 60 mins measured after 120 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70KHFPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 700nMAssay Description:Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate measured after 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/Q2H70KHFPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) using diclofenac as substrate measured after 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/Q2H70KHFPubMed
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 3.40nMAssay Description:Inhibition of PI3K p120gamma (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate in presence of ATP incubated for 60 mins by AD...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70KHFPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP2C19 (unknown origin) using S-mephenytoin as substrate measured after 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/Q2H70KHFPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrate measured after 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/Q2H70KHFPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50561837(CHEMBL4779873)copy SMILES
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate measured after 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/Q2H70KHFPubMed