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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EGF-R Tyrosine Kinase Mutant (T790M)' and Ligand = 'BDBM4567'   
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
EGF-R Tyrosine Kinase Mutant (T790M)


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Article
PubMed
n/an/a 1.20n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)