BDBM50088516 CHEMBL3526990
SMILES: COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI Key: InChIKey=XRHIELLXTVJOKM-HBDUBGCQSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50088516 (CHEMBL3526990) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 4.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Inc. Curated by ChEMBL | Assay Description Reversible inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP | Drug Metab Dispos 41: 698-703 (2013) Article DOI: 10.1124/dmd.112.050252 BindingDB Entry DOI: 10.7270/Q25D8TKW | |||||||||||
More data for this Ligand-Target Pair |