BDBM50166499 4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL370703

SMILES: Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1

InChI Key: InChIKey=OKBSEDNINJGMAP-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 = 50166499   

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))	BDBM50166499 (4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phen...) Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	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))	BDBM50166499 (4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phen...) Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2	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	2.01E+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 (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50166499 (4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phen...) Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	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