BDBM50166497 1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4-oxo-butyl]-pyrazolidine-3,5-dione::CHEMBL370034

SMILES: Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=VCBGYZYQHOUKNW-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 = 50166497   

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 (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166497 (1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4...) Show SMILES Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50166497 (1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4...) Show SMILES Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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))	BDBM50166497 (1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4...) Show SMILES Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+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