BDBM50166494 1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3-oxo-propyl]-pyrazolidine-3,5-dione::CHEMBL195098

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

InChI Key: InChIKey=BJNNSZKJRSWOLU-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 = 50166494   

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))	BDBM50166494 (1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3...) Show SMILES Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM50166494 (1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3...) Show SMILES Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM50166494 (1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3...) Show SMILES Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2	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	4.69E+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