BDBM25408 2-(2,4-dichlorophenoxy)-5-propylphenol::Triclosan derivative, 9

SMILES: CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

InChI Key: InChIKey=ILBQDZVPNAVUMD-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 25408   

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
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum)	BDBM25408 (2-(2,4-dichlorophenoxy)-5-propylphenol | Triclosan...) Show SMILES CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)