BDBM50317143 (S)-2-(3-(5-(1-carbamoylcyclohexylamino)-4-(3,5-dihydroxybenzamido)-5-oxopentylcarbamoyl)phenoxy)acetic acid::CHEMBL1088493

SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1cc(O)cc(O)c1

InChI Key InChIKey=QPUPYTRQVPPYLH-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 = 50317143   

TargetIsochorismate synthase EntC(Escherichia coli (strain K12))
University of California

Curated by ChEMBL
LigandPNGBDBM50317143((S)-2-(3-(5-(1-carbamoylcyclohexylamino)-4-(3,5-di...)
Affinity DataKi:  1.20E+6nMAssay 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
LigandPNGBDBM50317143((S)-2-(3-(5-(1-carbamoylcyclohexylamino)-4-(3,5-di...)
Affinity DataKi:  1.60E+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
TargetAnthranilate synthase component 1(Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)
University of California

Curated by ChEMBL
LigandPNGBDBM50317143((S)-2-(3-(5-(1-carbamoylcyclohexylamino)-4-(3,5-di...)
Affinity DataKi:  3.89E+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