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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50515444'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50515444
PNG
(CHEMBL4462505)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1F
Show InChI InChI=1S/C23H13F4NO4S2/c24-13-3-7-15(8-4-13)34(31,32)28-14-5-1-12(2-6-14)18-9-10-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 7289-7301 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00932
BindingDB Entry DOI: 10.7270/Q27H1NX9
More data for this
Ligand-Target Pair