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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM21108'   
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))
BDBM21108
PNG
(3-[4-(3-amino-7-fluoro-1,2-benzoxazol-4-yl)phenyl]...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3onc(N)c23)c1
Show InChI InChI=1S/C21H16F2N4O2/c1-11-2-8-15(22)17(10-11)26-21(28)25-13-5-3-12(4-6-13)14-7-9-16(23)19-18(14)20(24)27-29-19/h2-10H,1H3,(H2,24,27)(H2,25,26,28)
PDB
MMDB

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n/an/a 173n/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