Reaction Details |
| Report a problem with these data |
Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
---|
Ligand | BDBM50495475 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1287299 (CHEMBL3111007) |
---|
IC50 | 153±n/a nM |
---|
Citation | Maltais, R; Ayan, D; Trottier, A; Barbeau, X; Lagüe, P; Bouchard, JE; Poirier, D Discovery of a non-estrogenic irreversible inhibitor of 17?-hydroxysteroid dehydrogenase type 1 from 3-substituted-16?-(m-carbamoylbenzyl)-estradiol derivatives. J Med Chem57:204-22 (2014) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
17-beta-hydroxysteroid dehydrogenase type 1 |
---|
Name: | 17-beta-hydroxysteroid dehydrogenase type 1 |
Synonyms: | 17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1 |
Type: | Enzyme |
Mol. Mass.: | 34945.13 |
Organism: | Homo sapiens (Human) |
Description: | P14061 |
Residue: | 328 |
Sequence: | MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
|
|
|
BDBM50495475 |
---|
n/a |
---|
Name | BDBM50495475 |
Synonyms: | CHEMBL3108979 |
Type | Small organic molecule |
Emp. Form. | C29H36BrNO2 |
Mol. Mass. | 510.506 |
SMILES | [H][C@@]12C[C@H](Cc3cccc(c3)C(N)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(CCCBr)cc3CC[C@@]21[H] |r| |
Structure |
|