BDBM50166479 4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL365523

SMILES: CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1

InChI Key: InChIKey=WDYMZIVSFUNCPS-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 = 50166479   

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))	BDBM50166479 (4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro...) Show SMILES CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1 Show InChI InChI=1S/C26H25Cl2N3O2/c1-2-29(18-19-6-4-3-5-7-19)17-16-24-25(32)30(22-12-8-20(27)9-13-22)31(26(24)33)23-14-10-21(28)11-15-23/h3-15,32H,2,16-18H2,1H3	PDB MMDB 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 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
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166479 (4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro...) Show SMILES CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1 Show InChI InChI=1S/C26H25Cl2N3O2/c1-2-29(18-19-6-4-3-5-7-19)17-16-24-25(32)30(22-12-8-20(27)9-13-22)31(26(24)33)23-14-10-21(28)11-15-23/h3-15,32H,2,16-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt 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 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))	BDBM50166479 (4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro...) Show SMILES CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1 Show InChI InChI=1S/C26H25Cl2N3O2/c1-2-29(18-19-6-4-3-5-7-19)17-16-24-25(32)30(22-12-8-20(27)9-13-22)31(26(24)33)23-14-10-21(28)11-15-23/h3-15,32H,2,16-18H2,1H3	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