BDBM50462062 CHEMBL4225659

SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)C)nc1

InChI Key InChIKey=TWXUAALRVMWIGZ-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 50462062   

TargetAcetyl-CoA carboxylase 2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAcetyl-CoA carboxylase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 303nMAssay Description:Inhibition of recombinant human ACC1 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50462062(CHEMBL4225659)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed