Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM50204516
Substrate
n/a
Meas. Tech.
ChEMBL_464891 (CHEMBL949090)
IC50
>100000±n/a nM
Citation
 Kimball, FS; Romero, FA; Ezzili, C; Garfunkle, J; Rayl, TJ; Hochstatter, DG; Hwang, I; Boger, DL Optimization of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. J Med Chem 51:937-47 (2008) [PubMed]  Article 
Target
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:
MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAKKAVEKPPQTEHIEL
  
Inhibitor
Name:
BDBM50204516
Synonyms:
6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | CHEMBL219942
Type:
Small organic molecule
Emp. Form.:
C22H22N2O4
Mol. Mass.:
378.4211
SMILES:
OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Structure:
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