BDBM50615238 CHEMBL5287462

SMILES C[C@H]1CC[C@@H](CC1)C(=O)N([C@H]1CCCN(C)C1=O)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key InChIKey=MGEVBIDQMYTWFL-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 50615238   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50615238(CHEMBL5287462)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 2D6(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50615238(CHEMBL5287462)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50615238(CHEMBL5287462)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50615238(CHEMBL5287462)
Affinity DataEC50:  1.73E+4nMAssay Description:Activation of human PXR expressed in human DPX2 co-expressing luciferase reporter gene incubated for 24 hrs by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed