BDBM50442997 CHEMBL3088172

SMILES Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O

InChI Key InChIKey=UXRSVTXAGGLLHU-UHFFFAOYSA-N

Data  1 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50442997   

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

Curated by ChEMBL
LigandPNGBDBM50442997(CHEMBL3088172)
Affinity DataKd:  12nMAssay Description:Binding affinity to Mycobacterium tuberculosis NADH-bound form of full length inhA (1 to 255) by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50442997(CHEMBL3088172)
Affinity DataKd:  14nMAssay Description:Binding affinity to Mycobacterium tuberculosis NADH-bound form full length inhA (1 to 255) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50442997(CHEMBL3088172)
Affinity DataKd:  9.30E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis NAD+-bound form of full length inhA (1 to 255) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca India

Curated by ChEMBL
LigandPNGBDBM50442997(CHEMBL3088172)
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)