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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 = 'BDBM27963'   
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))
BDBM27963
PNG
(3-(2-(2-chlorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-...)
Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:30.38,wD:27.31,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.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,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
Show InChI InChI=1S/C29H31ClN8O/c30-22-4-2-1-3-18(22)16-25-34-23-10-5-19(15-24(23)35-25)27-26-28(31)32-17-33-29(26)38(36-27)21-8-6-20(7-9-21)37-11-13-39-14-12-37/h1-5,10,15,17,20-21H,6-9,11-14,16H2,(H,34,35)(H2,31,32,33)/t20-,21-
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/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