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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [671-1210,L858R]' and Ligand = 'BDBM27967'   
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
Epidermal growth factor receptor [671-1210,L858R]


(Homo sapiens (Human))
BDBM27967
PNG
(ethyl 4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]...)
Show SMILES CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(3.22,-10.25,;4.55,-9.48,;4.55,-7.94,;5.22,-6.55,;6.75,-6.43,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|
Show InChI InChI=1S/C33H39N9O3/c1-3-45-33(43)41-16-14-40(15-17-41)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(39-42)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)44-2/h4-8,13,18,20,23-24H,3,9-12,14-17,19H2,1-2H3,(H,37,38)(H2,34,35,36)/t23-,24-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/a7.523



Abbott Laboratories



Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Bioorg Med Chem Lett 19: 1718-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.086
BindingDB Entry DOI: 10.7270/Q2CJ8BTG
More data for this
Ligand-Target Pair