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PubMed code 24144854

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443294
PNG
(CHEMBL3088220)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H16BrN5O4/c1-12-21-10-18(25(28)29)24(12)11-17(13-2-6-15(20)7-3-13)22-23-19(27)14-4-8-16(26)9-5-14/h2-10,26H,11H2,1H3,(H,23,27)
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n/an/a 210n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443293
PNG
(CHEMBL3088219)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(N)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H17BrN6O3/c1-12-22-10-18(26(28)29)25(12)11-17(13-2-6-15(20)7-3-13)23-24-19(27)14-4-8-16(21)9-5-14/h2-10H,11,21H2,1H3,(H,24,27)
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n/an/a 430n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443295
PNG
(CHEMBL3088221)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccccc1N)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H17BrN6O3/c1-12-22-10-18(26(28)29)25(12)11-17(13-6-8-14(20)9-7-13)23-24-19(27)15-4-2-3-5-16(15)21/h2-10H,11,21H2,1H3,(H,24,27)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443296
PNG
(CHEMBL3088222)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccccc1O)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H16BrN5O4/c1-12-21-10-18(25(28)29)24(12)11-16(13-6-8-14(20)9-7-13)22-23-19(27)15-4-2-3-5-17(15)26/h2-10,26H,11H2,1H3,(H,23,27)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443298
PNG
(CHEMBL3088224)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(C)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C20H18BrN5O3/c1-13-3-5-16(6-4-13)20(27)24-23-18(15-7-9-17(21)10-8-15)12-25-14(2)22-11-19(25)26(28)29/h3-11H,12H2,1-2H3,(H,24,27)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443292
PNG
(CHEMBL3088218)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccncc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C18H15BrN6O3/c1-12-21-10-17(25(27)28)24(12)11-16(13-2-4-15(19)5-3-13)22-23-18(26)14-6-8-20-9-7-14/h2-10H,11H2,1H3,(H,23,26)
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n/an/a 8.19E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443299
PNG
(CHEMBL3088225)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccccc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H16BrN5O3/c1-13-21-11-18(25(27)28)24(13)12-17(14-7-9-16(20)10-8-14)22-23-19(26)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50443297
PNG
(CHEMBL3088223)
Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9|
Show InChI InChI=1S/C19H15BrClN5O3/c1-12-22-10-18(26(28)29)25(12)11-17(13-2-6-15(20)7-3-13)23-24-19(27)14-4-8-16(21)9-5-14/h2-10H,11H2,1H3,(H,24,27)
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PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel...


Bioorg Med Chem Lett 23: 6264-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%