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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 = 'BDBM50525970'   
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)		BDBM50525970
PNG
(CHEMBL4450585)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H12BrF6NO5S2/c25-12-4-7-19(16(9-12)37-24(29,30)31)39(35,36)32-13-3-1-2-11(8-13)17-5-6-18(38-17)22(33)14-10-15(26)21(28)23(34)20(14)27/h1-10,32,34H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
BindingDB Entry DOI: 10.7270/Q2CR5XS0
More data for this
Ligand-Target Pair