BDBM50166501 4-(3,5-Bis-trifluoromethyl-benzyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL192191

SMILES: Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=QCHSXURIXKICQL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50166501   

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))	BDBM50166501 (4-(3,5-Bis-trifluoromethyl-benzyl)-1,2-bis-(4-chlo...) Show SMILES Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H14Cl2F6N2O2/c25-16-1-5-18(6-2-16)33-21(35)20(22(36)34(33)19-7-3-17(26)4-8-19)11-13-9-14(23(27,28)29)12-15(10-13)24(30,31)32/h1-10,12,35H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166501 (4-(3,5-Bis-trifluoromethyl-benzyl)-1,2-bis-(4-chlo...) Show SMILES Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H14Cl2F6N2O2/c25-16-1-5-18(6-2-16)33-21(35)20(22(36)34(33)19-7-3-17(26)4-8-19)11-13-9-14(23(27,28)29)12-15(10-13)24(30,31)32/h1-10,12,35H,11H2	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	>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