Reaction Details |
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Target | Liver carboxylesterase 1 |
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Ligand | BDBM50161512 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_513868 (CHEMBL970762) |
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IC50 | 140±n/a nM |
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Citation | Garfunkle, J; Ezzili, C; Rayl, TJ; Hochstatter, DG; Hwang, I; Boger, DL Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase. J Med Chem51:4392-403 (2008) [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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BDBM50161512 |
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n/a |
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Name | BDBM50161512 |
Synonyms: | 7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one | 7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one | 7-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)heptan-1-one | CHEMBL178398 |
Type | Small organic molecule |
Emp. Form. | C20H21N3O2 |
Mol. Mass. | 335.3996 |
SMILES | O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 |
Structure |
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