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Target
Estradiol 17-beta-dehydrogenase 1
Ligand
BDBM50126972
Substrate
n/a
Meas. Tech.
ChEMBL_1524166 (CHEMBL3631251)
IC50
80±n/a nM
Citation
 Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M Towards the evaluation in an animal disease model: Fluorinated 17ß-HSD1 inhibitors showing strong activity towards both the human and the rat enzyme. Eur J Med Chem 103:56-68 (2015) [PubMed]  Article 
Target
Name:
Estradiol 17-beta-dehydrogenase 1
Synonyms:
17-beta-HSD 1 | 17-beta-hydroxysteroid dehydrogenase type 1 | DHB1_RAT | Edh17b1 | Estradiol 17-beta-dehydrogenase 1 | Hsd17b1
Type:
PROTEIN
Mol. Mass.:
36963.81
Organism:
Rattus norvegicus
Description:
ChEMBL_104363
Residue:
344
Sequence:
MDSTVVLITGCSSGIGLHLAVRLASDRSQSFKVYATLRDLKSQGPLLEAARAQGCPPGSLEILELDVRDSESVAAARACVTEGRVDVLVCNAGRGLFGPLEAHELNAVGAVLDVNVLGTIRMLQAFLPDMKRRHSGRVLVTASVGGLMGLPFHEVYCASKFALEGLCESLAILLPLFGVHVSLIECGAVHTAFHEKLEGGPGGALERADAQTRHLFAHYQRGYEQALSEAQDPEEVTELFLTAMRAPQPALRYFSTNRFLPLARMRTEDPSGSSYVEAMHREAFSDLQVQEGAKAGAQVSGDPDTPPRALICLPECAIPRVTAELGWSASDKPGQNKSCYQQKI
  
Inhibitor
Name:
BDBM50126972
Synonyms:
CHEMBL3629586
Type:
Small organic molecule
Emp. Form.:
C24H14F5NO5S2
Mol. Mass.:
555.494
SMILES:
Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Structure:
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