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PubMed code 18508264

Compile data set for download or QSAR
Found 44 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))
BDBM50377274
PNG
(CHEMBL402294)
Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377285
PNG
(CHEMBL255237)
Show SMILES COCCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377274
PNG
(CHEMBL402294)
Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377275
PNG
(CHEMBL256295)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=O
Show InChI InChI=1S/C19H16FN7O/c20-14-3-1-2-12(6-14)10-27-17-5-4-15(7-13(17)8-24-27)26-19-16(9-25-28)18(21)22-11-23-19/h1-8,11H,9-10H2,(H3,21,22,23,26)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377276
PNG
(CHEMBL256297)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C19H17ClFN5O2/c1-27-25-9-15-18(22)23-11-24-19(15)26-14-5-6-17(16(20)8-14)28-10-12-3-2-4-13(21)7-12/h2-9,11H,10H2,1H3,(H3,22,23,24,26)/b25-9+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377279
PNG
(CHEMBL257816)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ccc2c1
Show InChI InChI=1S/C21H19FN6O/c1-29-26-11-18-20(23)24-13-25-21(18)27-17-5-6-19-15(10-17)7-8-28(19)12-14-3-2-4-16(22)9-14/h2-11,13H,12H2,1H3,(H3,23,24,25,27)/b26-11+
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377286
PNG
(CHEMBL402293)
Show SMILES CC(C)O\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C22H22FN7O/c1-14(2)31-28-11-19-21(24)25-13-26-22(19)29-18-6-7-20-16(9-18)10-27-30(20)12-15-4-3-5-17(23)8-15/h3-11,13-14H,12H2,1-2H3,(H3,24,25,26,29)/b28-11+
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377285
PNG
(CHEMBL255237)
Show SMILES COCCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377277
PNG
(CHEMBL257815)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN5O2/c1-26-24-10-15-18(21)22-12-23-19(15)25-14-7-8-17(16(20)9-14)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22,23,25)/b24-10+
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377276
PNG
(CHEMBL256297)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C19H17ClFN5O2/c1-27-25-9-15-18(22)23-11-24-19(15)26-14-5-6-17(16(20)8-14)28-10-12-3-2-4-13(21)7-12/h2-9,11H,10H2,1H3,(H3,22,23,24,26)/b25-9+
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n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377282
PNG
(CHEMBL255865)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(c3)C#N)ncc2c1
Show InChI InChI=1S/C21H18N8O/c1-30-27-11-18-20(23)24-13-25-21(18)28-17-5-6-19-16(8-17)10-26-29(19)12-15-4-2-3-14(7-15)9-22/h2-8,10-11,13H,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377288
PNG
(CHEMBL402113)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccccc3)ncc2c1
Show InChI InChI=1S/C20H19N7O/c1-28-25-11-17-19(21)22-13-23-20(17)26-16-7-8-18-15(9-16)10-24-27(18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H3,21,22,23,26)/b25-11+
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n/an/a 22n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377272
PNG
(CHEMBL255438)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1
Show InChI InChI=1S/C26H22FN7O/c27-21-8-4-7-19(11-21)15-34-24-10-9-22(12-20(24)13-31-34)33-26-23(25(28)29-17-30-26)14-32-35-16-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H3,28,29,30,33)/b32-14+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377283
PNG
(CHEMBL255656)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1
Show InChI InChI=1S/C20H18ClN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377269
PNG
(CHEMBL402149)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1cccc(Br)c1
Show InChI InChI=1S/C12H12BrN5O/c1-19-17-6-10-11(14)15-7-16-12(10)18-9-4-2-3-8(13)5-9/h2-7H,1H3,(H3,14,15,16,18)/b17-6+
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n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377286
PNG
(CHEMBL402293)
Show SMILES CC(C)O\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C22H22FN7O/c1-14(2)31-28-11-19-21(24)25-13-26-22(19)29-18-6-7-20-16(9-18)10-27-30(20)12-15-4-3-5-17(23)8-15/h3-11,13-14H,12H2,1-2H3,(H3,24,25,26,29)/b28-11+
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n/an/a 25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377279
PNG
(CHEMBL257816)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ccc2c1
Show InChI InChI=1S/C21H19FN6O/c1-29-26-11-18-20(23)24-13-25-21(18)27-17-5-6-19-15(10-17)7-8-28(19)12-14-3-2-4-16(22)9-14/h2-11,13H,12H2,1H3,(H3,23,24,25,27)/b26-11+
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n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377283
PNG
(CHEMBL255656)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1
Show InChI InChI=1S/C20H18ClN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377273
PNG
(CHEMBL430031)
Show SMILES CC(C)CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C23H24FN7O/c1-15(2)13-32-29-11-20-22(25)26-14-27-23(20)30-19-6-7-21-17(9-19)10-28-31(21)12-16-4-3-5-18(24)8-16/h3-11,14-15H,12-13H2,1-2H3,(H3,25,26,27,30)/b29-11+
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n/an/a 32n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377281
PNG
(CHEMBL256529)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2cc(F)cc(F)c2)c(Cl)c1
Show InChI InChI=1S/C19H16ClF2N5O2/c1-28-26-8-15-18(23)24-10-25-19(15)27-14-2-3-17(16(20)7-14)29-9-11-4-12(21)6-13(22)5-11/h2-8,10H,9H2,1H3,(H3,23,24,25,27)/b26-8+
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n/an/a 33n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377275
PNG
(CHEMBL256295)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=O
Show InChI InChI=1S/C19H16FN7O/c20-14-3-1-2-12(6-14)10-27-17-5-4-15(7-13(17)8-24-27)26-19-16(9-25-28)18(21)22-11-23-19/h1-8,11H,9-10H2,(H3,21,22,23,26)
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n/an/a 42n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377288
PNG
(CHEMBL402113)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccccc3)ncc2c1
Show InChI InChI=1S/C20H19N7O/c1-28-25-11-17-19(21)22-13-23-20(17)26-16-7-8-18-15(9-16)10-24-27(18)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H3,21,22,23,26)/b25-11+
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n/an/a 44n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377282
PNG
(CHEMBL255865)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(c3)C#N)ncc2c1
Show InChI InChI=1S/C21H18N8O/c1-30-27-11-18-20(23)24-13-25-21(18)28-17-5-6-19-16(8-17)10-26-29(19)12-15-4-2-3-14(7-15)9-22/h2-8,10-11,13H,12H2,1H3,(H3,23,24,25,28)/b27-11+
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n/an/a 44n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377271
PNG
(CHEMBL255236)
Show SMILES COc1ccccc1CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C27H24FN7O2/c1-36-25-8-3-2-6-19(25)16-37-33-14-23-26(29)30-17-31-27(23)34-22-9-10-24-20(12-22)13-32-35(24)15-18-5-4-7-21(28)11-18/h2-14,17H,15-16H2,1H3,(H3,29,30,31,34)/b33-14+
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n/an/a 47n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377287
PNG
(CHEMBL402316)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2nc(Cc3cccc(F)c3)[nH]c2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-25-10-15-19(22)23-11-24-20(15)26-14-5-6-16-17(9-14)28-18(27-16)8-12-3-2-4-13(21)7-12/h2-7,9-11H,8H2,1H3,(H,27,28)(H3,22,23,24,26)/b25-10+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377278
PNG
(CHEMBL257814)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2N(Cc3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C21H21FN6O/c1-29-26-11-18-20(23)24-13-25-21(18)27-17-5-6-19-15(10-17)7-8-28(19)12-14-3-2-4-16(22)9-14/h2-6,9-11,13H,7-8,12H2,1H3,(H3,23,24,25,27)/b26-11+
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n/an/a 57n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377270
PNG
(CHEMBL255490)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H11ClFN5O/c1-20-18-5-8-11(15)16-6-17-12(8)19-7-2-3-10(14)9(13)4-7/h2-6H,1H3,(H3,15,16,17,19)/b18-5+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377287
PNG
(CHEMBL402316)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2nc(Cc3cccc(F)c3)[nH]c2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-25-10-15-19(22)23-11-24-20(15)26-14-5-6-16-17(9-14)28-18(27-16)8-12-3-2-4-13(21)7-12/h2-7,9-11H,8H2,1H3,(H,27,28)(H3,22,23,24,26)/b25-10+
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n/an/a 76n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377272
PNG
(CHEMBL255438)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1
Show InChI InChI=1S/C26H22FN7O/c27-21-8-4-7-19(11-21)15-34-24-10-9-22(12-20(24)13-31-34)33-26-23(25(28)29-17-30-26)14-32-35-16-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H3,28,29,30,33)/b32-14+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377280
PNG
(CHEMBL256527)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccc(F)cc3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-6-7-18-14(8-16)9-25-28(18)11-13-2-4-15(21)5-3-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377277
PNG
(CHEMBL257815)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN5O2/c1-26-24-10-15-18(21)22-12-23-19(15)25-14-7-8-17(16(20)9-14)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22,23,25)/b24-10+
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n/an/a 153n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377273
PNG
(CHEMBL430031)
Show SMILES CC(C)CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C23H24FN7O/c1-15(2)13-32-29-11-20-22(25)26-14-27-23(20)30-19-6-7-21-17(9-19)10-28-31(21)12-16-4-3-5-18(24)8-16/h3-11,14-15H,12-13H2,1-2H3,(H3,25,26,27,30)/b29-11+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377280
PNG
(CHEMBL256527)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccc(F)cc3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-6-7-18-14(8-16)9-25-28(18)11-13-2-4-15(21)5-3-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377270
PNG
(CHEMBL255490)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H11ClFN5O/c1-20-18-5-8-11(15)16-6-17-12(8)19-7-2-3-10(14)9(13)4-7/h2-6H,1H3,(H3,15,16,17,19)/b18-5+
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n/an/a 204n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377278
PNG
(CHEMBL257814)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2N(Cc3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C21H21FN6O/c1-29-26-11-18-20(23)24-13-25-21(18)27-17-5-6-19-15(10-17)7-8-28(19)12-14-3-2-4-16(22)9-14/h2-6,9-11,13H,7-8,12H2,1H3,(H3,23,24,25,27)/b26-11+
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n/an/a 255n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377289
PNG
(CHEMBL403357)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(OC)c3)ncc2c1
Show InChI InChI=1S/C21H21N7O2/c1-29-17-5-3-4-14(8-17)12-28-19-7-6-16(9-15(19)10-25-28)27-21-18(11-26-30-2)20(22)23-13-24-21/h3-11,13H,12H2,1-2H3,(H3,22,23,24,27)/b26-11+
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n/an/a 267n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377284
PNG
(CHEMBL255866)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H13N7O/c1-21-18-6-10-12(14)15-7-16-13(10)19-9-2-3-11-8(4-9)5-17-20-11/h2-7H,1H3,(H,17,20)(H3,14,15,16,19)/b18-6+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377271
PNG
(CHEMBL255236)
Show SMILES COc1ccccc1CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C27H24FN7O2/c1-36-25-8-3-2-6-19(25)16-37-33-14-23-26(29)30-17-31-27(23)34-22-9-10-24-20(12-22)13-32-35(24)15-18-5-4-7-21(28)11-18/h2-14,17H,15-16H2,1H3,(H3,29,30,31,34)/b33-14+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377269
PNG
(CHEMBL402149)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1cccc(Br)c1
Show InChI InChI=1S/C12H12BrN5O/c1-19-17-6-10-11(14)15-7-16-12(10)18-9-4-2-3-8(13)5-9/h2-7H,1H3,(H3,14,15,16,18)/b17-6+
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UniChem
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n/an/a 557n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50377268
PNG
(CHEMBL255291)
Show SMILES CO\N=C\c1c(N)ncnc1NCc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN5O/c1-21-20-6-9-12(16)18-7-19-13(9)17-5-8-2-3-11(15)10(14)4-8/h2-4,6-7H,5H2,1H3,(H3,16,17,18,19)/b20-6+
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KEGG

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n/an/a 1.12E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377284
PNG
(CHEMBL255866)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H13N7O/c1-21-18-6-10-12(14)15-7-16-13(10)19-9-2-3-11-8(4-9)5-17-20-11/h2-7H,1H3,(H,17,20)(H3,14,15,16,19)/b18-6+
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n/an/a 4.12E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50377268
PNG
(CHEMBL255291)
Show SMILES CO\N=C\c1c(N)ncnc1NCc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN5O/c1-21-20-6-9-12(16)18-7-19-13(9)17-5-8-2-3-11(15)10(14)4-8/h2-4,6-7H,5H2,1H3,(H3,16,17,18,19)/b20-6+
PDB
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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
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PubMed
n/an/a 5.22E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%