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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM17294
Substrate
17beta-estradiol (E2)
Meas. Tech.
Enzyme Inhibition on the Conversion of E2 to E1 by 17beta-HSD1
pH
7.5000±n/a
Temperature
310.1500±n/a K
Comments
The compound exhibited weak inhibition that did not permit the measurement of the Ki within the solubility range of the compound.
Citation
 Qiu, W; Campbell, RL; Gangloff, A; Dupuis, P; Boivin, RP; Tremblay, MR; Poirier, D; Lin, SX A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity. FASEB J 16:1829-31 (2002) [PubMed]  Article 
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 1
Synonyms:
17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 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:
Human
Description:
P14061
Residue:
328
Sequence:
MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGGGAGPGAEDEAGRGAVGDPELGDPPAAPQ
  
Inhibitor
Name:
BDBM17294
Synonyms:
Compound 11 | (13S,14S,15S)-15-methyl-13-nonyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 16beta-alkyl-E2
Type:
n/a
Emp. Form.:
C27H42O2
Mol. Mass.:
398.32
SMILES:
CCCCCCCCC[C@H]1CC2C3CCc4cc(O)ccc4C3CC[C@]2(C)[C@H]1O
Structure:
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Substrate
Name:
BDBM17292
Synonyms:
[2,4,6,7-3H]-17beta-estradiol | [3H]-estradiol | 17 beta-Estradiol | Ovocyclin | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17beta-estradiol (E2) | ESTRADIOL | Estradiol-17 alpha | CHEMBL135 | [3H]]estradiol | [2,4,6,7-3H]-E2 | US9034854, E2 | US9561238, E2 | US9040509, E2 | 17α-ethinylestradiol | CS336 | US9422324, E2
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.18
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Structure:
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