BDBM25403 4‐(2,4‐dichlorophenoxy)‐3‐hydroxybenzonitrile (19)::4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile::Triclosan derivative, 4
SMILES: Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
InChI Key: InChIKey=QYLRCMQANMWAOJ-UHFFFAOYSA-N
Data: 2 IC50
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 reductase (Toxoplasma gondii) | BDBM25403 (4‐(2,4‐dichlorophenoxy)‐3‐...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health | Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... | Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum) | BDBM25403 (4‐(2,4‐dichlorophenoxy)‐3‐...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | 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) |