| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
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| Ligand | BDBM50088512 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1494243 (CHEMBL3530691) |
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| IC50 | 2270±n/a nM |
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| Citation |  Inoue, NR; Hall, A; Lai, WG; Williams, ET Reversible inhibition of human carboxylesterases by acyl glucuronides. Drug Metab Dispos41:698-703 (2013) [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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| BDBM50088512 |
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| n/a |
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| Name | BDBM50088512 |
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| Synonyms: | CHEBI:59609 | CHEMBL3527338 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19Cl2NO8 |
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| Mol. Mass. | 472.273 |
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| SMILES | O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O |r| |
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| Structure | 
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