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Compile Data Set for Download or QSAR

Found 1 hit from CHUQ - Research Center and Laval University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50353136
PNG
(CHEMBL1829308)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H]1[C@@H](Cc3cccc(c3)C(N)=O)C(=O)O[C@H]21
Show InChI InChI=1S/C28H31NO4/c1-28-10-9-20-19-8-6-18(30)13-16(19)5-7-21(20)24(28)14-22-23(27(32)33-25(22)28)12-15-3-2-4-17(11-15)26(29)31/h2-4,6,8,11,13,20-25,30H,5,7,9-10,12,14H2,1H3,(H2,29,31)/t20-,21-,22-,23-,24+,25+,28+/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CHUQ - Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells expressing estrogen receptor assessed as conversion of [14C]-E1 to [14C]-E2 after 24 hrs


Bioorg Med Chem Lett 21: 5510-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.110
BindingDB Entry DOI: 10.7270/Q2ZG6SM0
More data for this
Ligand-Target Pair