BDBM50317141 2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,d]furan-4-yl)ethylamino)-4-(2-(4-nitrophenyl)propanamido)-5-oxopentylcarbamoyl)phenoxy)acetic acid::CHEMBL1094069

SMILES CC(C(=O)N[C@@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)C(=O)NCCc1cccc2c3cccc(CCC(N)=O)c3oc12)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=HSYLBAFDRMTESX-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 = 50317141   

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

Curated by ChEMBL
LigandPNGBDBM50317141(2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...)
Affinity DataKi:  1.90E+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
LigandPNGBDBM50317141(2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...)
Affinity DataKi:  2.50E+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
LigandPNGBDBM50317141(2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...)
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