BDBM50448861 CHEMBL3125272

SMILES CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC

InChI Key InChIKey=NCHSTBMDNNMMEJ-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50448861   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448861(CHEMBL3125272)
Affinity DataIC50: 34nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448861(CHEMBL3125272)
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
LigandPNGBDBM50448861(CHEMBL3125272)
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
LigandPNGBDBM50448861(CHEMBL3125272)
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
LigandPNGBDBM50448861(CHEMBL3125272)
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