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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)' and Monomerid = 17291   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM17291
PNG
(E2-adenosine hybrid compound, 9 | [5-(6-amino-9H-p...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CCCCCCCCCC(=O)OCC1OC(C(O)C1O)n1cnc3c(N)ncnc13)[C@@H]2O
Show InChI InChI=1S/C38H53N5O7/c1-38-16-15-26-25-14-12-24(44)17-22(25)11-13-27(26)28(38)18-23(34(38)48)9-7-5-3-2-4-6-8-10-30(45)49-19-29-32(46)33(47)37(50-29)43-21-42-31-35(39)40-20-41-36(31)43/h12,14,17,20-21,23,26-29,32-34,37,44,46-48H,2-11,13,15-16,18-19H2,1H3,(H2,39,40,41)/t23?,26-,27-,28+,29?,32?,33?,34+,37?,38+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 140n/an/an/an/a7.437



CHUL



Assay Description
The enzymatic reaction was performed in the reaction buffer containing substrate, [14C]-estrone, and the test inhibitors. After the reaction, radiola...


FASEB J 16: 1829-31 (2002)


Article DOI: 10.1096/fj.02-0026fje
BindingDB Entry DOI: 10.7270/Q23T9FGW
More data for this
Ligand-Target Pair