BDBM50195560 4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydroxy-1,2-dihydropyrazol-3-one::CHEMBL217282

SMILES: CCCCOc1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=WYKMKGAQPIBZPA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50195560   

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))	BDBM50195560 (4-(4-butoxybenzoyl)-1,2-bis(4-chlorophenyl)-5-hydr...) Show SMILES CCCCOc1ccc(cc1)C(=O)c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H22Cl2N2O4/c1-2-3-16-34-22-14-4-17(5-15-22)24(31)23-25(32)29(20-10-6-18(27)7-11-20)30(26(23)33)21-12-8-19(28)9-13-21/h4-15,32H,2-3,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Curated by ChEMBL					Assay Description Inhibition of MurB activity				J Med Chem 49: 6027-36 (2006) Article DOI: 10.1021/jm060499t BindingDB Entry DOI: 10.7270/Q22V2FRV
					More data for this Ligand-Target Pair