BDBM50317147 2-(3-(-(S)-5-((S)-1-Amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-4-(3-hydroxy-4-methyl-2-nitrobenzamido)-5-oxopentylcarbamoyl)-phenoxy)acetic Acid::CHEMBL1094072

SMILES: Cc1ccc(C(=O)N[C@@H](CCCNC(=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=DFNZCULYAYFVQZ-ZEQRLZLVSA-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 = 50317147   

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)	BDBM50317147 (2-(3-(-(S)-5-((S)-1-Amino-3-(3-chlorophenyl)-1-oxo...) Show SMILES Cc1ccc(C(=O)N[C@@H](CCCNC(=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/C31H32ClN5O10/c1-17-10-11-22(26(27(17)40)37(45)46)30(43)35-23(31(44)36-24(28(33)41)14-18-5-2-7-20(32)13-18)9-4-12-34-29(42)19-6-3-8-21(15-19)47-16-25(38)39/h2-3,5-8,10-11,13,15,23-24,40H,4,9,12,14,16H2,1H3,(H2,33,41)(H,34,42)(H,35,43)(H,36,44)(H,38,39)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+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))	BDBM50317147 (2-(3-(-(S)-5-((S)-1-Amino-3-(3-chlorophenyl)-1-oxo...) Show SMILES Cc1ccc(C(=O)N[C@@H](CCCNC(=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/C31H32ClN5O10/c1-17-10-11-22(26(27(17)40)37(45)46)30(43)35-23(31(44)36-24(28(33)41)14-18-5-2-7-20(32)13-18)9-4-12-34-29(42)19-6-3-8-21(15-19)47-16-25(38)39/h2-3,5-8,10-11,13,15,23-24,40H,4,9,12,14,16H2,1H3,(H2,33,41)(H,34,42)(H,35,43)(H,36,44)(H,38,39)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+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))	BDBM50317147 (2-(3-(-(S)-5-((S)-1-Amino-3-(3-chlorophenyl)-1-oxo...) Show SMILES Cc1ccc(C(=O)N[C@@H](CCCNC(=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/C31H32ClN5O10/c1-17-10-11-22(26(27(17)40)37(45)46)30(43)35-23(31(44)36-24(28(33)41)14-18-5-2-7-20(32)13-18)9-4-12-34-29(42)19-6-3-8-21(15-19)47-16-25(38)39/h2-3,5-8,10-11,13,15,23-24,40H,4,9,12,14,16H2,1H3,(H2,33,41)(H,34,42)(H,35,43)(H,36,44)(H,38,39)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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