BDBM50317150 CHEMBL1088356::N-((S)-6-Amino-1-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-1-oxohexan-2-yl)-3-hydroxy-4-methyl-2-nitrobenzamide

SMILES Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O

InChI Key InChIKey=HJWRRASZLVSVIR-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50317150   

TargetAminodeoxychorismate lyase(Escherichia coli (strain K12))
University of California

Curated by ChEMBL
LigandPNGBDBM50317150(N-((S)-6-Amino-1-((S)-1-amino-3-(3-chlorophenyl)-1...)
Affinity DataKi:  5.70E+6nMAssay Description:Inhibition of Escherichia coli K12 ADCS by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetIsochorismate synthase EntC(Escherichia coli (strain K12))
University of California

Curated by ChEMBL
LigandPNGBDBM50317150(N-((S)-6-Amino-1-((S)-1-amino-3-(3-chlorophenyl)-1...)
Affinity DataKi:  7.90E+5nMAssay Description:Inhibition of Escherichia coli K12 IS expressed in Escherichia coli BL21(DE3) by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAnthranilate synthase component 1(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
University of California

Curated by ChEMBL
LigandPNGBDBM50317150(N-((S)-6-Amino-1-((S)-1-amino-3-(3-chlorophenyl)-1...)
Affinity DataKi:  1.10E+5nMAssay Description:Inhibition of Salmonella Typhimurium anthranilate synthase trpE:trpD expressed in Escherichia coli BL21(DE3) coexpressing stop codon in trpD gene for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed