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-RULBIBMZSA-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 = 50317141   

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)	BDBM50317141 (2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...) Show 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 |r| Show InChI InChI=1S/C40H41N5O10/c1-24(25-13-16-29(17-14-25)45(52)53)38(49)44-33(12-5-20-42-39(50)28-8-2-9-30(22-28)54-23-35(47)48)40(51)43-21-19-27-7-4-11-32-31-10-3-6-26(15-18-34(41)46)36(31)55-37(27)32/h2-4,6-11,13-14,16-17,22,24,33H,5,12,15,18-21,23H2,1H3,(H2,41,46)(H,42,50)(H,43,51)(H,44,49)(H,47,48)/t24?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 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))	BDBM50317141 (2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...) Show 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 |r| Show InChI InChI=1S/C40H41N5O10/c1-24(25-13-16-29(17-14-25)45(52)53)38(49)44-33(12-5-20-42-39(50)28-8-2-9-30(22-28)54-23-35(47)48)40(51)43-21-19-27-7-4-11-32-31-10-3-6-26(15-18-34(41)46)36(31)55-37(27)32/h2-4,6-11,13-14,16-17,22,24,33H,5,12,15,18-21,23H2,1H3,(H2,41,46)(H,42,50)(H,43,51)(H,44,49)(H,47,48)/t24?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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)	BDBM50317141 (2-(3-((4S)-5-(2-(6-(3-amino-3-oxopropyl)dibenzo[b,...) Show 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 |r| Show InChI InChI=1S/C40H41N5O10/c1-24(25-13-16-29(17-14-25)45(52)53)38(49)44-33(12-5-20-42-39(50)28-8-2-9-30(22-28)54-23-35(47)48)40(51)43-21-19-27-7-4-11-32-31-10-3-6-26(15-18-34(41)46)36(31)55-37(27)32/h2-4,6-11,13-14,16-17,22,24,33H,5,12,15,18-21,23H2,1H3,(H2,41,46)(H,42,50)(H,43,51)(H,44,49)(H,47,48)/t24?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+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 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