| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
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| Ligand | BDBM50084040 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1561177 (CHEMBL3777370) |
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| IC50 | 3470±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Liver carboxylesterase 1 |
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| Name: | Liver carboxylesterase 1 |
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| Synonyms: | Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1) |
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| Type: | Protein |
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| Mol. Mass.: | 62520.83 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 567 |
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| Sequence: | MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
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| BDBM50084040 |
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| n/a |
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| Name | BDBM50084040 |
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| Synonyms: | Bavachinin A |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22O4 |
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| Mol. Mass. | 338.397 |
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| SMILES | [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1 |
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| Structure | 
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