BDBM50166488 4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-4-methyl-pyrazolidine-3,5-dione::CHEMBL191952

SMILES: CC1(CCOCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=PDLXYDNYMGGLJH-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 = 50166488   

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))	BDBM50166488 (4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-4-...) Show SMILES CC1(CCOCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H22Cl2N2O3/c1-25(15-16-32-17-18-5-3-2-4-6-18)23(30)28(21-11-7-19(26)8-12-21)29(24(25)31)22-13-9-20(27)10-14-22/h2-14H,15-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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))	BDBM50166488 (4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-4-...) Show SMILES CC1(CCOCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H22Cl2N2O3/c1-25(15-16-32-17-18-5-3-2-4-6-18)23(30)28(21-11-7-19(26)8-12-21)29(24(25)31)22-13-9-20(27)10-14-22/h2-14H,15-17H2,1H3	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