BDBM25425 2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol::Triclosan derivative, 26

SMILES: Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl

InChI Key: InChIKey=AOVDSWPGWPRTSR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 25425   

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)	BDBM25425 (2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phen...) Show SMILES Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	640	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 (crystal)
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum)	BDBM25425 (2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phen...) Show SMILES Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	640	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 (crystal)