BDBM85276 HEA derivative, 7c::MurC/D/E/F inhibitor (compound 68)

SMILES: OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1

InChI Key: InChIKey=UJEZOYULDAIFDY-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 85276   

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
MurC (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
MurE (Staphylococcus aureus)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
MurF (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
MurF (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurD (Escherichia coli (strain K12))	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurE (Staphylococcus aureus)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurC (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair