BDBM25409 5-butyl-2-(2,4-dichlorophenoxy)phenol::Triclosan derivative, 10

SMILES: CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

InChI Key: InChIKey=YJSDMDYNCMZAED-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 25409   

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-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM25409 (5-butyl-2-(2,4-dichlorophenoxy)phenol | Triclosan ...) Show SMILES CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
International Centre for Science and High Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase				Eur J Med Chem 44: 3009-19 (2009) Article DOI: 10.1016/j.ejmech.2008.12.028 BindingDB Entry DOI: 10.7270/Q20K28MM
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum)	BDBM25409 (5-butyl-2-(2,4-dichlorophenoxy)phenol | Triclosan ...) Show SMILES CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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)