BDBM25411 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol::Triclosan derivative, 12

SMILES: CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

InChI Key: InChIKey=LHFFQFRAOUEGEB-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 = 25411   

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)	BDBM25411 (2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol | ...) Show SMILES CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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)