| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C1 |
|---|
| Ligand | BDBM50396669 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_864146 (CHEMBL2175095) |
|---|
| IC50 | 830±n/a nM |
|---|
| Citation |  Jamieson, SM; Brooke, DG; Heinrich, D; Atwell, GJ; Silva, S; Hamilton, EJ; Turnbull, AP; Rigoreau, LJ; Trivier, E; Soudy, C; Samlal, SS; Owen, PJ; Schroeder, E; Raynham, T; Flanagan, JU; Denny, WA 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase AKR1C3. J Med Chem55:7746-58 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Aldo-keto reductase family 1 member C1 |
|---|
| Name: | Aldo-keto reductase family 1 member C1 |
|---|
| Synonyms: | 20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 36793.97 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Recombinant AKR1C1 enzyme was expressed in E. coli. |
|---|
| Residue: | 323 |
|---|
| Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
|
|
|
|---|
| BDBM50396669 |
|---|
| n/a |
|---|
| Name | BDBM50396669 |
|---|
| Synonyms: | CHEMBL2172108 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C15H10BrNO4S |
|---|
| Mol. Mass. | 380.213 |
|---|
| SMILES | OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
