Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM50233189
Substrate
n/a
Meas. Tech.
ChEMBL_1649827 (CHEMBL3998961)
Ki
4.9±n/a nM
Citation
 Hatfield, MJ; Chen, J; Fratt, EM; Chi, L; Bollinger, JC; Binder, RJ; Bowling, J; Hyatt, JL; Scarborough, J; Jeffries, C; Potter, PM Selective Inhibitors of Human Liver Carboxylesterase Based on aß-Lapachone Scaffold: Novel Reagents for Reaction Profiling. J Med Chem 60:1568-1579 (2017) [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:
BDBM50233189
Synonyms:
CHEMBL4090451
Type:
Small organic molecule
Emp. Form.:
C18H15NO2
Mol. Mass.:
277.3172
SMILES:
CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1 |t:2|
Structure:
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