BDBM25406 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid::CHEMBL240808::Triclosan derivative, 7
SMILES: OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChI Key: InChIKey=KUJXLYCFJYCPHN-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-ACP Reductase (PfENR) (Plasmodium falciparum) | BDBM25406![]() (4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid | CH...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | 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 | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM25406![]() (4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid | CH...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | 4.4 | n/a |
Institute of Sciences Curated by ChEMBL | Assay Description Inhibition of transthyretin fibril formation at pH 4.4 | J Med Chem 50: 5589-99 (2007) Article DOI: 10.1021/jm0700159 BindingDB Entry DOI: 10.7270/Q2PG1RGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM25406![]() (4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid | CH...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 27 | n/a | n/a | n/a | 4.4 | n/a |
Institute of Sciences Curated by ChEMBL | Assay Description Binding affinity to transthyretin at pH 4.4 | J Med Chem 50: 5589-99 (2007) Article DOI: 10.1021/jm0700159 BindingDB Entry DOI: 10.7270/Q2PG1RGD | |||||||||||
More data for this Ligand-Target Pair |