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Compile Data Set for Download or QSAR

Found 534 hits of ph data with Target = 'Epidermal growth factor receptor'   
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))
BDBM6619
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/a7.022



Banyu Tsukuba Research Institute



Assay Description
Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM234389
PNG
(Mangiferin)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/a7.0n/a



Gyeongsang National University



Assay Description
Inhibition of kinase activity against a variety of recombinant kinases [FLT3, FLT3 D835Y, anaplastic lymphoma kinase (ALK), insulin receptor, and epi...


J Enzyme Inhib Med Chem 26: 445-8 (2011)


Article DOI: 10.3109/14756366.2010.515215
BindingDB Entry DOI: 10.7270/Q2S46QTV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM84534
PNG
(Indirubin derivative, 20)
Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM84553
PNG
(Indirubin derivative, 28a | Indirubin derivative, ...)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1
Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM84553
PNG
(Indirubin derivative, 28a | Indirubin derivative, ...)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1
Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM84555
PNG
(Indirubin derivative, 30a | Indirubin derivative, ...)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1
Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM84555
PNG
(Indirubin derivative, 30a | Indirubin derivative, ...)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1
Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101226
PNG
(US8524722, 5)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O2S/c25-18-13-16(4-5-19(18)26)29-23-22-17-6-9-31(14-20(17)34-24(22)28-15-27-23)21(32)3-1-7-30-8-2-11-33-12-10-30/h1,3-5,13,15H,2,6-12,14H2,(H,27,28,29)/b3-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101227
PNG
(US8524722, 10)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2C3CCC2CC3)cc1Cl
Show InChI InChI=1S/C25H25ClFN5OS/c26-19-12-15(3-8-20(19)27)30-24-23-18-9-11-31(13-21(18)34-25(23)29-14-28-24)22(33)2-1-10-32-16-4-5-17(32)7-6-16/h1-3,8,12,14,16-17H,4-7,9-11,13H2,(H,28,29,30)/b2-1+
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n/an/a 1.10n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101228
PNG
(US8524722, 12)
Show SMILES CC(C)(CN1CCOCC1)NC\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C27H32ClFN6O2S/c1-27(2,16-34-10-12-37-13-11-34)32-8-3-4-23(36)35-9-7-19-22(15-35)38-26-24(19)25(30-17-31-26)33-18-5-6-21(29)20(28)14-18/h3-6,14,17,32H,7-13,15-16H2,1-2H3,(H,30,31,33)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101229
PNG
(US8524722, 13)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\[C@@H]2CCCN2)cc1Cl
Show InChI InChI=1S/C22H21ClFN5OS/c23-16-10-14(3-5-17(16)24)28-21-20-15-7-9-29(11-18(15)31-22(20)27-12-26-21)19(30)6-4-13-2-1-8-25-13/h3-6,10,12-13,25H,1-2,7-9,11H2,(H,26,27,28)/b6-4+/t13-/m0/s1
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n/an/a 2n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101230
PNG
(US8524722, 14)
Show SMILES CN1CCC[C@H]1\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H23ClFN5OS/c1-29-9-2-3-15(29)5-7-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-14-4-6-18(25)17(24)11-14/h4-7,11,13,15H,2-3,8-10,12H2,1H3,(H,26,27,28)/b7-5+/t15-/m0/s1
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50330241
PNG
((E)-4-(Dimethylamino)-1-(4-[(1R)-1-phenylethyl]ami...)
Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1
Show InChI InChI=1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-15-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1
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n/an/a 4.60n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101231
PNG
(US8524722, 31)
Show SMILES COCCN(CCOC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C25H29ClFN5O3S/c1-34-12-10-31(11-13-35-2)8-3-4-22(33)32-9-7-18-21(15-32)36-25-23(18)24(28-16-29-25)30-17-5-6-20(27)19(26)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,28,29,30)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101232
PNG
(US8524722, 70)
Show SMILES CN(C)C(=O)N1CCN(C\C=C\C(=O)N2CCc3c(C2)sc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1
Show InChI InChI=1S/C26H29ClFN7O2S/c1-32(2)26(37)34-12-10-33(11-13-34)8-3-4-22(36)35-9-7-18-21(15-35)38-25-23(18)24(29-16-30-25)31-17-5-6-20(28)19(27)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,29,30,31)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101233
PNG
(US8524722, 81)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C20H19ClFN5OS/c1-26(2)7-3-4-17(28)27-9-13-16(10-27)29-20-18(13)19(23-11-24-20)25-12-5-6-15(22)14(21)8-12/h3-6,8,11H,7,9-10H2,1-2H3,(H,23,24,25)/b4-3+
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n/an/a 12n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101234
PNG
(US8524722, 84)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C22H23Cl2N5OS/c1-13(2)28(3)8-4-5-19(30)29-10-15-18(11-29)31-22-20(15)21(25-12-26-22)27-14-6-7-16(23)17(24)9-14/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,25,26,27)/b5-4+
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n/an/a 1.40n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101235
PNG
(US8524722, 86)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C27H25ClFN5O2S/c1-33(2)10-4-7-24(35)34-13-20-23(14-34)37-27-25(20)26(30-16-31-27)32-19-8-9-22(21(28)12-19)36-15-17-5-3-6-18(29)11-17/h3-9,11-12,16H,10,13-15H2,1-2H3,(H,30,31,32)/b7-4+
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n/an/a 5n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101236
PNG
(US8524722, 87)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C26H25ClN6O2S/c1-32(2)11-5-7-23(34)33-13-19-22(14-33)36-26-24(19)25(29-16-30-26)31-17-8-9-21(20(27)12-17)35-15-18-6-3-4-10-28-18/h3-10,12,16H,11,13-15H2,1-2H3,(H,29,30,31)/b7-5+
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n/an/a 19n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101237
PNG
(US8524722, 90)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)oc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H25ClFN5O2/c1-14(2)29(3)9-4-5-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-15-6-7-18(25)17(24)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101238
PNG
(US8524722, 95)
Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H21ClFN5OS/c1-29(2)8-3-4-20(31)30-9-7-16-19(13-30)32-23-21(16)22(14(11-26)12-27-23)28-15-5-6-18(25)17(24)10-15/h3-6,10,12H,7-9,13H2,1-2H3,(H,27,28)/b4-3+
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n/an/a 10n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101239
PNG
(US8524722, 119)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CNC23CC4CC(CC(C4)C2)C3)cc1Cl
Show InChI InChI=1S/C29H31Cl2N5OS/c30-22-4-3-20(11-23(22)31)35-27-26-21-5-7-36(15-24(21)38-28(26)33-16-32-27)25(37)2-1-6-34-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-4,11,16-19,34H,5-10,12-15H2,(H,32,33,35)/b2-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101240
PNG
(US8524722, 123)
Show SMILES CC(C)C(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)cc(Cl)c3)c21
Show InChI InChI=1S/C24H27ClN4O2S/c1-14(2)15(3)5-4-6-21(31)29-8-7-19-20(12-29)32-24-22(19)23(26-13-27-24)28-17-9-16(25)10-18(30)11-17/h4,6,9-11,13-15,30H,5,7-8,12H2,1-3H3,(H,26,27,28)/b6-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101241
PNG
(US8524722, 134)
Show SMILES CN(C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)c(Cl)c(Cl)c3)c21)C(C)(C)C
Show InChI InChI=1S/C24H27Cl2N5O2S/c1-24(2,3)30(4)8-5-6-19(33)31-9-7-15-18(12-31)34-23-20(15)22(27-13-28-23)29-14-10-16(25)21(26)17(32)11-14/h5-6,10-11,13,32H,7-9,12H2,1-4H3,(H,27,28,29)/b6-5+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101242
PNG
(US8524722, 139)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C23H25Cl2N5OS/c1-14(2)29(3)9-4-5-20(31)30-10-8-19-16(12-30)21-22(26-13-27-23(21)32-19)28-15-6-7-17(24)18(25)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
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n/an/a 9.20n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101243
PNG
(US8524722, 143)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2S/c26-19-7-6-17(14-20(19)27)30-24-23-18-4-1-10-32(15-21(18)35-25(23)29-16-28-24)22(33)5-2-8-31-9-3-12-34-13-11-31/h2,5-7,14,16H,1,3-4,8-13,15H2,(H,28,29,30)/b5-2+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101244
PNG
(US8524722, 148)
Show SMILES Clc1ccc(Nc2c(cnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)C#N)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O2S/c27-20-5-4-18(13-21(20)28)31-25-17(14-29)15-30-26-24(25)19-6-9-33(16-22(19)36-26)23(34)3-1-7-32-8-2-11-35-12-10-32/h1,3-5,13,15H,2,6-12,16H2,(H,30,31)/b3-1+
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n/an/a 4.30n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM101245
PNG
(US8524722, 151)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c21
Show InChI InChI=1S/C33H32FN7OS/c1-21(2)39(3)12-5-8-30(42)40-13-11-27-29(20-40)43-33-31(27)32(24(16-35)17-36-33)38-26-9-10-28-23(15-26)18-37-41(28)19-22-6-4-7-25(34)14-22/h4-10,14-15,17-18,21H,11-13,19-20H2,1-3H3,(H,36,38)/b8-5+
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n/an/a 6.40n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM54680
PNG
((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Show SMILES Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
Show InChI InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/a7.022



Schering AG



Assay Description
Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.


Chembiochem 6: 531-40 (2005)


Article DOI: 10.1002/cbic.200400108
BindingDB Entry DOI: 10.7270/Q2B56H8H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3050
PNG
(2-Amino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-...)
Show SMILES Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C14H10Cl2N4O/c1-20-12-7(6-18-14(17)19-12)5-8(13(20)21)11-9(15)3-2-4-10(11)16/h2-6H,1H3,(H2,17,18,19)
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n/an/a 5.60E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3054
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 21 | 6-(2,...)
Show SMILES CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
Show InChI InChI=1S/C15H12Cl2N4O/c1-18-15-19-7-8-6-9(14(22)21(2)13(8)20-15)12-10(16)4-3-5-11(12)17/h3-7H,1-2H3,(H,18,19,20)
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n/an/a 7.50E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3055
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 22 | 6-(2,...)
Show SMILES CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
Show InChI InChI=1S/C16H14Cl2N4O/c1-3-19-16-20-8-9-7-10(15(23)22(2)14(9)21-16)13-11(17)5-4-6-12(13)18/h4-8H,3H2,1-2H3,(H,19,20,21)
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n/an/a 4.50E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3259
PNG
(4-Anilino quinazoline deriv. 10 | CHEMBL289959 | N...)
Show SMILES N(c1ccccc1)c1ncnc2ccccc12
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H,(H,15,16,17)
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n/an/a 344n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3503
PNG
(CHEMBL92985 | N-(3-fluorophenyl)quinazolin-4-amine...)
Show SMILES Fc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10FN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 56n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3263
PNG
(4-Anilino quinazoline deriv. 14 | CHEMBL329672 | C...)
Show SMILES Clc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 23n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3264
PNG
(4-Anilino quinazoline deriv. 15 | CHEMBL290096 | N...)
Show SMILES Brc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 27n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3265
PNG
(4-Anilino quinazoline deriv. 16 | CHEMBL92825 | N-...)
Show SMILES Ic1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10IN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 80n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3266
PNG
(4-Anilino quinazoline deriv. 17 | CHEMBL92824 | N-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
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n/an/a 577n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3508
PNG
(6-methoxy-N-phenylquinazolin-4-amine | CHEMBL32887...)
Show SMILES COc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-7-8-14-13(9-12)15(17-10-16-14)18-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
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n/an/a 55n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3295
PNG
(4-Anilinoquinazoline deriv. 46 | CHEMBL52197 | N-(...)
Show SMILES COc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H12BrN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
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n/an/a 30n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3510
PNG
(4-N-phenylquinazoline-4,6-diamine | CHEMBL89940 | ...)
Show SMILES Nc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H12N4/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,15H2,(H,16,17,18)
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n/an/a 770n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3511
PNG
(4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-dia...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-7-10(19)4-5-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22)
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n/an/a 574n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3294
PNG
(4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.780n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3513
PNG
(6-nitro-N-phenylquinazolin-4-amine | CHEMBL328295 ...)
Show SMILES [O-][N+](=O)c1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H10N4O2/c19-18(20)11-6-7-13-12(8-11)14(16-9-15-13)17-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
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n/an/a 5.00E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3293
PNG
(4-Anilinoquinazoline deriv. 44 | CHEMBL329161 | N-...)
Show SMILES [O-][N+](=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
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n/an/a 900n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3515
PNG
(6-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-...)
Show SMILES [O-][N+](=O)c1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C15H9F3N4O2/c16-15(17,18)9-2-1-3-10(6-9)21-14-12-7-11(22(23)24)4-5-13(12)19-8-20-14/h1-8H,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3516
PNG
(7-methoxy-N-phenylquinazolin-4-amine | CHEMBL92398...)
Show SMILES COc1ccc2c(Nc3ccccc3)ncnc2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-7-8-13-14(9-12)16-10-17-15(13)18-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
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n/an/a 120n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3298
PNG
(4-Anilinoquinazoline deriv. 49 | CHEMBL93181 | N-(...)
Show SMILES COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C15H12BrN3O/c1-20-12-5-6-13-14(8-12)17-9-18-15(13)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
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n/an/a 10n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3518
PNG
(4-N-phenylquinazoline-4,7-diamine | CHEMBL330224 |...)
Show SMILES Nc1ccc2c(Nc3ccccc3)ncnc2c1
Show InChI InChI=1S/C14H12N4/c15-10-6-7-12-13(8-10)16-9-17-14(12)18-11-4-2-1-3-5-11/h1-9H,15H2,(H,16,17,18)
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n/an/a 100n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3519
PNG
(4-N-(3-fluorophenyl)quinazoline-4,7-diamine | CHEM...)
Show SMILES Nc1ccc2c(Nc3cccc(F)c3)ncnc2c1
Show InChI InChI=1S/C14H11FN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 2n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
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