BDBM50154561 CHEMBL3774603
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC
InChI Key: InChIKey=UJCCELSWWRMAPH-AYVZPHPZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM50154561 (CHEMBL3774603) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit... | Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM50154561 (CHEMBL3774603) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured... | Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50154561 (CHEMBL3774603) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst... | Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6 | |||||||||||
More data for this Ligand-Target Pair |