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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Liver carboxylesterase 1 | ||
| Ligand | BDBM50188385 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1561177 (CHEMBL3777370) | ||
| IC50 | 49860±n/a nM | ||
| Citation |  Zou, LW; Li, YG; Wang, P; Zhou, K; Hou, J; Jin, Q; Hao, DC; Ge, GB; Yang, L Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2. Eur J Med Chem112:280-8 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Liver carboxylesterase 1 | |||
| Name: | Liver carboxylesterase 1 | ||
| Synonyms: | Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1) | ||
| Type: | Protein | ||
| Mol. Mass.: | 62520.83 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 567 | ||
| Sequence: |
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| BDBM50188385 | |||
| n/a | |||
| Name | BDBM50188385 | ||
| Synonyms: | (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid | (3beta,18beta,20beta)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid | CHEMBL207413 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H48O5 | ||
| Mol. Mass. | 512.7205 | ||
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| | ||
| Structure | 
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