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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'EGFR (E746-A750del)' AND taxid = 9606   
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
EGFR (E746-A750del)


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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PC sid
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Similars

PDB
US Patent
n/an/an/a 12n/an/an/an/an/a



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...


US Patent US10167264 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGFR (E746-A750del)


(Homo sapiens (Human))
BDBM313222
PNG
(N-[3-[[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-(tri...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N7O/c1-3-23(37)31-19-6-5-7-20(16-19)32-24-22(26(27,28)29)17-30-25(34-24)33-18-8-10-21(11-9-18)36-14-12-35(4-2)13-15-36/h3,5-11,16-17H,1,4,12-15H2,2H3,(H,31,37)(H2,30,32,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 4n/an/an/an/an/a



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...


US Patent US10167264 (2019)

More data for this
Ligand-Target Pair
EGFR (E746-A750del)


(Homo sapiens (Human))
BDBM313221
PNG
(N-[3-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-(tr...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N7O2/c1-3-23(38)31-19-5-4-6-20(15-19)32-24-22(26(27,28)29)16-30-25(34-24)33-18-7-9-21(10-8-18)36-13-11-35(12-14-36)17(2)37/h3-10,15-16H,1,11-14H2,2H3,(H,31,38)(H2,30,32,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 26n/an/an/an/an/a



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...


US Patent US10167264 (2019)

More data for this
Ligand-Target Pair