BDBM50317146 (S)-2-(3-(4-(3-benzoylpicolinamido)-5-(1-carbamoylcyclohexylamino)-5-oxopentylcarbamoyl)phenoxy)acetic acid::CHEMBL1094068

SMILES: NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ncccc1C(=O)c1ccccc1

InChI Key: InChIKey=PDGZWKAIBXGMDS-SANMLTNESA-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 = 50317146   

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
Isochorismate synthase entC (Escherichia coli (strain K12))	BDBM50317146 ((S)-2-(3-(4-(3-benzoylpicolinamido)-5-(1-carbamoyl...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ncccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C34H37N5O8/c35-33(46)34(16-5-2-6-17-34)39-31(44)26(15-9-19-37-30(43)23-12-7-13-24(20-23)47-21-27(40)41)38-32(45)28-25(14-8-18-36-28)29(42)22-10-3-1-4-11-22/h1,3-4,7-8,10-14,18,20,26H,2,5-6,9,15-17,19,21H2,(H2,35,46)(H,37,43)(H,38,45)(H,39,44)(H,40,41)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+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
Anthranilate synthase component 1 (Salmonella typhimurium)	BDBM50317146 ((S)-2-(3-(4-(3-benzoylpicolinamido)-5-(1-carbamoyl...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ncccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C34H37N5O8/c35-33(46)34(16-5-2-6-17-34)39-31(44)26(15-9-19-37-30(43)23-12-7-13-24(20-23)47-21-27(40)41)38-32(45)28-25(14-8-18-36-28)29(42)22-10-3-1-4-11-22/h1,3-4,7-8,10-14,18,20,26H,2,5-6,9,15-17,19,21H2,(H2,35,46)(H,37,43)(H,38,45)(H,39,44)(H,40,41)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+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 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)	BDBM50317146 ((S)-2-(3-(4-(3-benzoylpicolinamido)-5-(1-carbamoyl...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ncccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C34H37N5O8/c35-33(46)34(16-5-2-6-17-34)39-31(44)26(15-9-19-37-30(43)23-12-7-13-24(20-23)47-21-27(40)41)38-32(45)28-25(14-8-18-36-28)29(42)22-10-3-1-4-11-22/h1,3-4,7-8,10-14,18,20,26H,2,5-6,9,15-17,19,21H2,(H2,35,46)(H,37,43)(H,38,45)(H,39,44)(H,40,41)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+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 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