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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM21109'   
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))
BDBM21109
PNG
(3-{4-[3-amino-7-(trifluoromethoxy)-1,2-benzoxazol-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
Show InChI InChI=1S/C22H16F4N4O3/c1-11-2-8-15(23)16(10-11)29-21(31)28-13-5-3-12(4-6-13)14-7-9-17(32-22(24,25)26)19-18(14)20(27)30-33-19/h2-10H,1H3,(H2,27,30)(H2,28,29,31)
PDB
MMDB

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Article
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n/an/a 58n/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