BDBM50209420 1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone::CHEMBL244630
SMILES: OC(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F
InChI Key: InChIKey=FWTYPBLNNIDCIZ-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cocaine esterase (Homo sapiens (Human)) | BDBM50209420![]() (1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone |...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 99.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human intestinal carboxylesterase | Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver carboxylesterase 1 (Homo sapiens (Human)) | BDBM50209420![]() (1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone |...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 665 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human carboxylesterase 1 | Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50209420![]() (1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human AChE | Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50209420![]() (1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human BChE | Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV | |||||||||||
More data for this Ligand-Target Pair |