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Target
Liver carboxylesterase 1
Ligand
BDBM50161518
Substrate
n/a
Meas. Tech.
ChEMBL_305902 (CHEMBL832566)
IC50
1±n/a nM
Citation
 Leung, D; Du, W; Hardouin, C; Cheng, H; Hwang, I; Cravatt, BF; Boger, DL Discovery of an exceptionally potent and selective class of fatty acid amide hydrolase inhibitors enlisting proteome-wide selectivity screening: concurrent optimization of enzyme inhibitor potency and selectivity. Bioorg Med Chem Lett 15:1423-8 (2005) [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:
BDBM50161518
Synonyms:
1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one | 1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one | CHEMBL175854
Type:
Small organic molecule
Emp. Form.:
C18H18N2O2
Mol. Mass.:
294.3477
SMILES:
O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Structure:
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