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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM21111'   
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21111
PNG
(3-(4-{3-amino-7-[2-(morpholin-4-yl)ethoxy]-1,2-ben...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3onc(N)c23)c1
Show InChI InChI=1S/C27H28FN5O4/c1-17-2-8-21(28)22(16-17)31-27(34)30-19-5-3-18(4-6-19)20-7-9-23(25-24(20)26(29)32-37-25)36-15-12-33-10-13-35-14-11-33/h2-9,16H,10-15H2,1H3,(H2,29,32)(H2,30,31,34)
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n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair