BDBM50489465 CHEMBL2323583

SMILES C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O

InChI Key InChIKey=ZCNHOXIPSWXQHI-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50489465   

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

Curated by ChEMBL
LigandPNGBDBM50489465(CHEMBL2323583)
Affinity DataIC50: 3.28E+4nMAssay Description:Inhibition of bacterial InhA harboring S94A mutant using 2-trans-octenoyl-CoA or 2-trans-dodecenoyl-CoA as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM50489465(CHEMBL2323583)
Affinity DataKi:  7.10E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA S94A mutant assessed as NADH oxidation using 2-trans-dodecenoyl-coA as substrate measured every min for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)