Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM50171925
Substrate
n/a
Meas. Tech.
ChEMBL_303802 (CHEMBL829851)
Ki
30.0±n/a nM
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 Chem 48:5543-50 (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:
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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