| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
|---|
| Ligand | BDBM22858 |
|---|
| Substrate/Competitor | BDBM22723 |
|---|
| Meas. Tech. | Enzyme Inhibition Assay |
|---|
| Ki | 15.9±n/a nM |
|---|
| Citation |  Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem50:5727-34 (2007) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Solution Info, Assay Method |
|---|
| |
| Liver carboxylesterase 1 |
|---|
| 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
|
|
|
|---|
| BDBM22858 |
|---|
| BDBM22723 |
|---|
| Name | BDBM22858 |
|---|
| Synonyms: | 1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydrophenanthrene-9,10-dione | CHEMBL433282 | NSC23180 | US9073941, 904 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H7NO4 |
|---|
| Mol. Mass. | 253.2097 |
|---|
| SMILES | [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 |
|---|
| Structure | 
|
|---|
Search and Browse
