Reaction Details |
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Target | Liver carboxylesterase 1 |
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Ligand | BDBM50171925 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_303802 (CHEMBL829851) |
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Ki | 30.0±n/a nM |
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Citation | Hyatt, JL; Stacy, V; Wadkins, RM; Yoon, KJ; Wierdl, M; Edwards, CC; Zeller, M; Hunter, AD; Danks, MK; Crundwell, G; Potter, PM Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. J Med Chem48:5543-50 (2005) [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 |
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: | MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
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BDBM50171925 |
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n/a |
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Name | BDBM50171925 |
Synonyms: | 1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione | 1,2-bis(4-bromothiophen-2-yl)ethane-1,2-dione | CHEMBL190672 |
Type | Small organic molecule |
Emp. Form. | C10H4Br2O2S2 |
Mol. Mass. | 380.076 |
SMILES | Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1 |
Structure |
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