BDBM50166478 1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyrazolidine-3,5-dione::CHEMBL373076

SMILES: Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=VAPPOOQVJCKGHN-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 = 50166478   

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))	BDBM50166478 (1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyraz...) Show SMILES Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 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))	BDBM50166478 (1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyraz...) Show SMILES Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2	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	3.49E+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 (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50166478 (1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyraz...) Show SMILES Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+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