BDBM50166502 1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-phenyl)-2-oxo-ethoxy]-4-methyl-pyrazolidin-3-one::CHEMBL363203

SMILES: CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=YQSUTKKEIQYKQE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50166502   

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
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50166502 (1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-pheny...) Show SMILES CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2F2N2O3/c1-14-23(32)29(18-7-2-15(25)3-8-18)30(19-9-4-16(26)5-10-19)24(14)33-13-22(31)20-11-6-17(27)12-21(20)28/h2-12,14,24H,13H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MurB enzyme in Staphylococcus aureus				Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW
					More data for this Ligand-Target Pair
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166502 (1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-pheny...) Show SMILES CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2F2N2O3/c1-14-23(32)29(18-7-2-15(25)3-8-18)30(19-9-4-16(26)5-10-19)24(14)33-13-22(31)20-11-6-17(27)12-21(20)28/h2-12,14,24H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MurA enzyme in Escherichia coli				Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW
					More data for this Ligand-Target Pair
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166502 (1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-pheny...) Show SMILES CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2F2N2O3/c1-14-23(32)29(18-7-2-15(25)3-8-18)30(19-9-4-16(26)5-10-19)24(14)33-13-22(31)20-11-6-17(27)12-21(20)28/h2-12,14,24H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MurB enzyme in Escherichia coli				Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW
					More data for this Ligand-Target Pair