BDBM50412684 CHEMBL467451
SMILES: CCCCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
InChI Key: InChIKey=DLJATNJKOYEGGD-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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Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50412684 (CHEMBL467451) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibition of human carboxylesterase 1 after 24 hrs | Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50412684 (CHEMBL467451) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibition of human carboxylesterase 1 after 5 mins | Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase (Sus scrofa) | BDBM50412684 (CHEMBL467451) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at Davis Curated by ChEMBL | Assay Description Inhibition of Sus scrofa (pig) carboxylesterase isolated from liver in using p-nitrophenyl acetate as substrate incubated for 5 min prior to substrat... | Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Juvenile hormone esterase, isoform B (Trichoplusia ni) | BDBM50412684 (CHEMBL467451) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at Davis Curated by ChEMBL | Assay Description Inhibition of Trichoplusia ni (cabbage looper) juvenile hormone esterase isolated from fifth-intsar larval stage using [3H]JH 3 as substrate incubate... | Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver carboxylesterase B-1 (Rattus norvegicus) | BDBM50412684 (CHEMBL467451) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at Davis Curated by ChEMBL | Assay Description Inhibition of carboxylesterase in Fischer 344 Rattus norvegicus (rat) liver microsomes using p-nitrophenyl acetate as substrate incubated for 5 min p... | Chem Res Toxicol 14: 1563-72 (2001) Article DOI: 10.1021/tx015508+ BindingDB Entry DOI: 10.7270/Q20004ZT | |||||||||||
More data for this Ligand-Target Pair |