BDBM50317149 2-(3-(3-((R)-3-((S)-1-Amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-2-(3-hydroxy-4-methyl-2-nitrobenzamido)-3-oxopropylthio)propylcarbamoyl)phenoxy)acetic Acid::CHEMBL1095961

SMILES: Cc1ccc(C(=O)N[C@@H](CSCCCNC(=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=CXZWCCBAJGLAKG-DQEYMECFSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50317149   

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)	BDBM50317149 (2-(3-(3-((R)-3-((S)-1-Amino-3-(3-chlorophenyl)-1-o...) Show SMILES Cc1ccc(C(=O)N[C@@H](CSCCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r| Show InChI InChI=1S/C32H34ClN5O10S/c1-18-9-10-23(27(28(18)41)38(46)47)31(44)37-25(32(45)36-24(29(34)42)14-19-5-2-7-21(33)13-19)17-49-12-4-11-35-30(43)20-6-3-8-22(15-20)48-16-26(39)40/h2-3,5-10,13,15,24-25,41H,4,11-12,14,16-17H2,1H3,(H2,34,42)(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+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))	BDBM50317149 (2-(3-(3-((R)-3-((S)-1-Amino-3-(3-chlorophenyl)-1-o...) Show SMILES Cc1ccc(C(=O)N[C@@H](CSCCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r| Show InChI InChI=1S/C32H34ClN5O10S/c1-18-9-10-23(27(28(18)41)38(46)47)31(44)37-25(32(45)36-24(29(34)42)14-19-5-2-7-21(33)13-19)17-49-12-4-11-35-30(43)20-6-3-8-22(15-20)48-16-26(39)40/h2-3,5-10,13,15,24-25,41H,4,11-12,14,16-17H2,1H3,(H2,34,42)(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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))	BDBM50317149 (2-(3-(3-((R)-3-((S)-1-Amino-3-(3-chlorophenyl)-1-o...) Show SMILES Cc1ccc(C(=O)N[C@@H](CSCCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r| Show InChI InChI=1S/C32H34ClN5O10S/c1-18-9-10-23(27(28(18)41)38(46)47)31(44)37-25(32(45)36-24(29(34)42)14-19-5-2-7-21(33)13-19)17-49-12-4-11-35-30(43)20-6-3-8-22(15-20)48-16-26(39)40/h2-3,5-10,13,15,24-25,41H,4,11-12,14,16-17H2,1H3,(H2,34,42)(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+6	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