BDBM25422 3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benzonitrile::Triclosan derivative, 23
SMILES: Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccccn1
InChI Key: InChIKey=CSJXWYZNRAVKKT-UHFFFAOYSA-N
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 |
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Enoyl-ACP reductase (Plasmodium falciparum) | BDBM25422![]() (3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benz...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 700 | 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) | ||||||||||||
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum) | BDBM25422![]() (3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benz...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 700 | 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) |