BDBM50200013 2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-5-(3-hydroxy-4-methyl-2-nitrobenzamido)-6-oxohexyl)carbamoyl)phenoxy)acetic acid::2-(3-((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-5-(3-hydroxy-4-methyl-2-nitrobenzamido)-6-oxohexylcarbamoyl)phenoxy)acetic acid::CHEMBL385837
SMILES: Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O
InChI Key: InChIKey=YRUXCIVASPUJCF-DQEYMECFSA-N
Data: 4 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Anthranilate synthase component 1 (Salmonella typhimurium) | BDBM50200013 (2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Salmonella typhimurium anthranilate synthase trpE:trpD expressed in Escherichia coli BL21(DE3) coexpressing stop codon in trpD gene for... | J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anthranilate synthase component 1 (Salmonella typhimurium) | BDBM50200013 (2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Salmonella typhimurium anthranilate synthase trpE:trpD expressed in Escherichia coli BL21(DE3) coexpressing stop codon in trpD gene for... | J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isochorismate synthase entC (Escherichia coli (strain K12)) | BDBM50200013 (2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Escherichia coli K12 IS expressed in Escherichia coli BL21(DE3) by spectrophotometry | J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminodeoxychorismate lyase (Escherichia coli (strain K12)) | BDBM50200013 (2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of Escherichia coli K12 ADCS by spectrophotometry | J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4 | |||||||||||
More data for this Ligand-Target Pair |