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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM21099'   
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))
BDBM21099
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H14ClFN4O2/c21-15-10-13(8-9-16(15)22)25-20(27)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)26-28-17/h1-10H,(H2,23,26)(H2,24,25,27)
PDB
MMDB

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PC cid
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Article
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n/an/a 22n/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