BDBM50166484 1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hexyl)-pyrazolidine-3,5-dione::CHEMBL189679

SMILES: CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=KTPYDYSZADMEGK-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 = 50166484   

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))	BDBM50166484 (1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hex...) Show SMILES CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2N2O2/c1-28(20-8-3-2-5-9-21-10-6-4-7-11-21)26(33)31(24-16-12-22(29)13-17-24)32(27(28)34)25-18-14-23(30)15-19-25/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3	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))	BDBM50166484 (1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hex...) Show SMILES CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2N2O2/c1-28(20-8-3-2-5-9-21-10-6-4-7-11-21)26(33)31(24-16-12-22(29)13-17-24)32(27(28)34)25-18-14-23(30)15-19-25/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3	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))	BDBM50166484 (1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hex...) Show SMILES CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2N2O2/c1-28(20-8-3-2-5-9-21-10-6-4-7-11-21)26(33)31(24-16-12-22(29)13-17-24)32(27(28)34)25-18-14-23(30)15-19-25/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3	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