BDBM50448866 CHEMBL3125270

SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(N)=O)n(CC)n1

InChI Key InChIKey=VSEJBALUHIPEBF-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50448866   

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP2D6 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP2C19 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP2C9 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP1A2 by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed