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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 = 'BDBM50515437'   
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)
BDBM50515437
PNG
(CHEMBL4471724)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2)c1F
Show InChI InChI=1S/C22H12ClF3N2O4S2/c23-18-7-4-13(10-27-18)34(31,32)28-12-3-1-2-11(8-12)16-5-6-17(33-16)21(29)14-9-15(24)20(26)22(30)19(14)25/h1-10,28,30H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/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