BDBM25413 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol::Triclosan derivative, 14
SMILES: Oc1cc(CC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl
InChI Key: InChIKey=AUJNRGORQMIJCP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM25413 (5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA | Eur J Med Chem 146: 318-343 (2018) Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum) | BDBM25413 (5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 530 | 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) |