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Compile Data Set for Download or QSAR

Found 513 hits of ic50 for UniProtKB: Q15303   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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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n/an/a 0.190n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...


Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50123453
PNG
(CHEMBL3623290)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) by HTRF assay in presence of Km of ATP


J Med Chem 58: 8200-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01073
BindingDB Entry DOI: 10.7270/Q29P33FH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50123453
PNG
(CHEMBL3623290)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion mutant (unknown origin) by HTRF assay in presence of Km of ATP


J Med Chem 58: 8200-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01073
BindingDB Entry DOI: 10.7270/Q29P33FH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183383
PNG
(CHEMBL3818547)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1
Show InChI InChI=1S/C19H15ClFN5O4/c1-29-16-6-13-10(5-14(16)25-18(27)15-7-30-19(28)26-15)17(23-8-22-13)24-9-2-3-12(21)11(20)4-9/h2-6,8,15H,7H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)/t15-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...


Bioorg Med Chem 24: 3359-70 (2016)


Article DOI: 10.1016/j.bmc.2016.04.046
BindingDB Entry DOI: 10.7270/Q2H133ZJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183406
PNG
(CHEMBL3818062)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C
Show InChI InChI=1S/C20H17ClFN5O4/c1-9-17(27-20(29)31-9)19(28)26-15-6-11-14(7-16(15)30-2)23-8-24-18(11)25-10-3-4-13(22)12(21)5-10/h3-9,17H,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t9-,17+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...


Bioorg Med Chem 24: 3359-70 (2016)


Article DOI: 10.1016/j.bmc.2016.04.046
BindingDB Entry DOI: 10.7270/Q2H133ZJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183388
PNG
(CHEMBL3818015)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1
Show InChI InChI=1S/C19H16BrN5O4/c1-28-16-7-13-12(6-14(16)24-18(26)15-8-29-19(27)25-15)17(22-9-21-13)23-11-4-2-3-10(20)5-11/h2-7,9,15H,8H2,1H3,(H,24,26)(H,25,27)(H,21,22,23)/t15-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...


Bioorg Med Chem 24: 3359-70 (2016)


Article DOI: 10.1016/j.bmc.2016.04.046
BindingDB Entry DOI: 10.7270/Q2H133ZJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166941
PNG
(CHEMBL3797606)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N6O3S/c1-5-24(33)28-18-7-6-8-20(15-18)35-25-23(36-4)17-27-26(30-25)29-21-10-9-19(16-22(21)34-3)32-13-11-31(2)12-14-32/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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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n/an/a 0.420n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...


Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182693
PNG
(CHEMBL203644 | N-[4-[(3-chloro-4-fluorophenyl)amin...)
Show SMILES CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 0.637n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic GST-tagged human recombinant EGFR L858R mutant expressed in baculovirus system by z-lyte assay


Eur J Med Chem 118: 276-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.026
BindingDB Entry DOI: 10.7270/Q2KH0Q8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166942
PNG
(CHEMBL3798501)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H30N6O4S/c1-5-25(35)29-19-7-6-8-21(15-19)37-26-24(38-4)17-28-27(31-26)30-22-10-9-20(16-23(22)36-3)33-13-11-32(12-14-33)18(2)34/h5-10,15-17H,1,11-14H2,2-4H3,(H,29,35)(H,28,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183391
PNG
(CHEMBL3818563)
Show SMILES CCOc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1NC(=O)[C@@H]1COC(=O)N1
Show InChI InChI=1S/C22H23N5O4/c1-3-30-19-10-16-15(9-17(19)26-21(28)18-11-31-22(29)27-18)20(24-12-23-16)25-13(2)14-7-5-4-6-8-14/h4-10,12-13,18H,3,11H2,1-2H3,(H,26,28)(H,27,29)(H,23,24,25)/t13-,18-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...


Bioorg Med Chem 24: 3359-70 (2016)


Article DOI: 10.1016/j.bmc.2016.04.046
BindingDB Entry DOI: 10.7270/Q2H133ZJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182684
PNG
(CHEMBL437890 | N-[4-[(3-bromo-4-fluorophenyl)amino...)
Show SMILES CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1
Show InChI InChI=1S/C23H23BrFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183395
PNG
(CHEMBL3818289)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)[C@@H]4COC(=O)N4)cc23)cc1Cl
Show InChI InChI=1S/C25H26ClFN6O5/c26-17-10-15(2-3-18(17)27)30-23-16-11-20(31-24(34)21-13-38-25(35)32-21)22(12-19(16)28-14-29-23)37-7-1-4-33-5-8-36-9-6-33/h2-3,10-12,14,21H,1,4-9,13H2,(H,31,34)(H,32,35)(H,28,29,30)/t21-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for...


Bioorg Med Chem 24: 3359-70 (2016)


Article DOI: 10.1016/j.bmc.2016.04.046
BindingDB Entry DOI: 10.7270/Q2H133ZJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 0.970n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191486
PNG
(CHEMBL3959248)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H33N7O3/c1-37(2)13-7-10-30(39)36-27-17-25-26(18-29(27)41-15-14-40-3)32-21-33-31(25)35-24-11-12-28-23(16-24)19-34-38(28)20-22-8-5-4-6-9-22/h4-12,16-19,21H,13-15,20H2,1-3H3,(H,36,39)(H,32,33,35)/b10-7+
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n/an/a 1n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182688
PNG
(CHEMBL204638 | N-[4-[(3-bromo-4-fluorophenyl)amino...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Br
Show InChI InChI=1S/C22H20BrFN6O2/c23-17-11-15(4-5-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)3-1-2-6-30-7-9-32-10-8-30/h4-5,11-14H,2,6-10H2,(H,25,29,31)(H,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182682
PNG
(CHEMBL203661 | N-[4-[(3-chloro-4-fluorophenyl)amin...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C22H20ClFN6O2/c23-17-11-15(4-5-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)3-1-2-6-30-7-9-32-10-8-30/h4-5,11-14H,2,6-10H2,(H,25,29,31)(H,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177903
PNG
(CHEMBL3814825)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h3-10,15-18,21H,1,11-14H2,2H3,(H2,30,31)(H,33,39)
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n/an/a<1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF as...


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM333465
PNG
(N-[4-(3-chloro-4- fluorophenylamino)-7-(2-(6-methy...)
Show SMILES CN1CCC2(CC2CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1
Show InChI InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-13-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)12-18)14-24(23)36-11-6-17-15-27(17)7-9-34(2)10-8-27/h3-5,12-14,16-17H,1,6-11,15H2,2H3,(H,33,35)(H,30,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent




US Patent US9730934 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q21C200G
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182697
PNG
(CHEMBL203599 | N-[4-[(3-chloro-4-fluorophenyl)amin...)
Show SMILES CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1
Show InChI InChI=1S/C23H23ClFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM333446
PNG
(N-[4-(3-chloro-4- fluorophenylamino)-7-((8-methyl-...)
Show SMILES CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)CO2)CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-14-17-13-27(37-15-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)
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n/an/a 1.40n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent




US Patent US9730934 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q21C200G
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM333447
PNG
(N-[4-(3-chloro-4- fluorophenylamino)-7-(8-methyl-1...)
Show SMILES CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)O2)CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-3-25(35)33-23-13-19-22(30-16-31-26(19)32-17-4-5-21(29)20(28)12-17)14-24(23)36-15-18-6-7-27(37-18)8-10-34(2)11-9-27/h3-5,12-14,16,18H,1,6-11,15H2,2H3,(H,33,35)(H,30,31,32)
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n/an/a 1.70n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent




US Patent US9730934 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q21C200G
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182695
PNG
(CHEMBL202360 | N-[4-[(3-bromophenyl)amino]-6-quina...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#C)cc23)c1
Show InChI InChI=1S/C17H11BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h1,3-10H,(H,21,23)(H,19,20,22)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166944
PNG
(CHEMBL3799864)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCCN(CC1)C(C)=O
Show InChI InChI=1S/C28H32N6O4S/c1-5-26(36)30-20-8-6-9-22(16-20)38-27-25(39-4)18-29-28(32-27)31-23-11-10-21(17-24(23)37-3)34-13-7-12-33(14-15-34)19(2)35/h5-6,8-11,16-18H,1,7,12-15H2,2-4H3,(H,30,36)(H,29,31,32)
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n/an/a 1.80n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182678
PNG
(CHEMBL205059 | N-[4-[(3-chloro-4-fluorophenyl)amin...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C23H22ClFN6O/c24-18-12-16(7-8-19(18)25)29-23-17-13-21(26-14-20(17)27-15-28-23)30-22(32)6-2-5-11-31-9-3-1-4-10-31/h7-8,12-15H,1,3-5,9-11H2,(H,26,30,32)(H,27,28,29)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM333466
PNG
(N-[4-(3-chloro-4- fluorophenylamino)-7-((7-methyl-...)
Show SMILES CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1
Show InChI InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent




US Patent US9730934 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q21C200G
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191661
PNG
(CHEMBL3890186)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C33H35N7O3/c1-42-16-17-43-31-20-28-27(19-29(31)38-32(41)10-7-15-39-13-5-6-14-39)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-40(30)22-24-8-3-2-4-9-24/h2-4,7-12,18-21,23H,5-6,13-17,22H2,1H3,(H,38,41)(H,34,35,37)/b10-7+
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191495
PNG
(CHEMBL3896779)
Show SMILES O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1
Show InChI InChI=1S/C27H26N6O2/c34-26(9-6-16-33-14-4-5-15-33)32-25-17-23-24(18-28-25)29-19-30-27(23)31-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,6-13,17-19H,4-5,14-16H2,(H,28,32,34)(H,29,30,31)/b9-6+
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029689
PNG
(CHEMBL3353411)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR Del ex19 mutant phosphorylation in human PC9 cells preincubated for 2 hrs by ELISA


Bioorg Med Chem Lett 26: 1861-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.067
BindingDB Entry DOI: 10.7270/Q2C24Z9V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029689
PNG
(CHEMBL3353411)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs by ELISA


Bioorg Med Chem Lett 26: 1861-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.067
BindingDB Entry DOI: 10.7270/Q2C24Z9V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033377
PNG
(CHEMBL3357649)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
Show InChI InChI=1S/C28H26ClF2N5O3/c1-36(2)10-9-22(31)28(37)35-24-13-20-23(14-26(24)38-3)32-16-33-27(20)34-19-7-8-25(21(29)12-19)39-15-17-5-4-6-18(30)11-17/h4-9,11-14,16H,10,15H2,1-3H3,(H,35,37)(H,32,33,34)/b22-9-
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n/an/a 2.10n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50240782
PNG
(CHEMBL4075917)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O
Show InChI InChI=1S/C27H23FN4O2/c1-16-22-11-18(7-10-24(22)32-31-16)23-13-20(30-25(15-33)17-5-3-2-4-6-17)14-29-27(23)21-9-8-19(28)12-26(21)34/h2-14,25,30,33-34H,15H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ErbB4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50182687
PNG
(CHEMBL203645 | N-[4-[(3-chloro-4-fluorophenyl)amin...)
Show SMILES CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C19H15ClFN5O/c1-2-3-4-5-18(27)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-6-7-15(21)14(20)8-12/h6-11H,2-3H2,1H3,(H,22,26,27)(H,23,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA


J Med Chem 49: 1475-85 (2006)


Article DOI: 10.1021/jm050936o
BindingDB Entry DOI: 10.7270/Q2ZS2X96
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50123453
PNG
(CHEMBL3623290)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion mutant (unknown origin) by HTRF assay in presence of 2mM of ATP


J Med Chem 58: 8200-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01073
BindingDB Entry DOI: 10.7270/Q29P33FH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166949
PNG
(CHEMBL3798128)
Show SMILES CSc1cnc(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C27H28F2N6O4S/c1-4-24(37)31-18-6-5-7-20(14-18)38-25-23(40-3)16-30-27(33-25)32-21-9-8-19(15-22(21)39-26(28)29)35-12-10-34(11-13-35)17(2)36/h4-9,14-16,26H,1,10-13H2,2-3H3,(H,31,37)(H,30,32,33)
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n/an/a 2.80n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191655
PNG
(CHEMBL3970330)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
Show InChI InChI=1S/C34H38N8O3/c1-40-13-15-41(16-14-40)12-6-9-33(43)39-30-20-28-29(21-32(30)45-18-17-44-2)35-24-36-34(28)38-27-10-11-31-26(19-27)22-37-42(31)23-25-7-4-3-5-8-25/h3-11,19-22,24H,12-18,23H2,1-2H3,(H,39,43)(H,35,36,38)/b9-6+
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n/an/a 3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191502
PNG
(CHEMBL3981551)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C26H24ClFN6O2/c1-34(2)10-4-7-25(35)33-24-13-20-22(14-29-24)30-16-31-26(20)32-19-8-9-23(21(27)12-19)36-15-17-5-3-6-18(28)11-17/h3-9,11-14,16H,10,15H2,1-2H3,(H,29,33,35)(H,30,31,32)/b7-4+
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n/an/a 3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells after 2 hrs by sandwich ELISA


J Med Chem 59: 2005-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191641
PNG
(CHEMBL3949347)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
Show InChI InChI=1S/C27H26N8O/c1-34(2)12-6-9-26(36)33-25-14-22-23(16-28-25)29-18-30-27(22)32-21-10-11-24-20(13-21)15-31-35(24)17-19-7-4-3-5-8-19/h3-11,13-16,18H,12,17H2,1-2H3,(H,28,33,36)(H,29,30,32)/b9-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191589
PNG
(CHEMBL3986103)
Show SMILES CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C30H32N6O4S/c1-2-40-28-20-26-25(19-27(28)34-29(37)11-8-18-36-16-6-7-17-36)30(32-21-31-26)33-22-12-14-23(15-13-22)35-41(38,39)24-9-4-3-5-10-24/h3-5,8-15,19-21,35H,2,6-7,16-18H2,1H3,(H,34,37)(H,31,32,33)/b11-8+
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n/an/a 3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191654
PNG
(CHEMBL3932176)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H31N7O2/c1-4-39-28-17-25-24(16-26(28)35-29(38)11-8-14-36(2)3)30(32-20-31-25)34-23-12-13-27-22(15-23)18-33-37(27)19-21-9-6-5-7-10-21/h5-13,15-18,20H,4,14,19H2,1-3H3,(H,35,38)(H,31,32,34)/b11-8+
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n/an/a 3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191479
PNG
(CHEMBL3958482)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C30H31N5O3/c1-37-28-20-26-25(19-27(28)34-29(36)11-8-18-35-16-6-3-7-17-35)30(32-21-31-26)33-22-12-14-24(15-13-22)38-23-9-4-2-5-10-23/h2,4-5,8-15,19-21H,3,6-7,16-18H2,1H3,(H,34,36)(H,31,32,33)/b11-8+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191586
PNG
(CHEMBL3977504)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1
Show InChI InChI=1S/C25H24N6O2/c1-31(2)14-6-9-24(32)30-23-15-21-22(16-26-23)27-17-28-25(21)29-18-10-12-20(13-11-18)33-19-7-4-3-5-8-19/h3-13,15-17H,14H2,1-2H3,(H,26,30,32)(H,27,28,29)/b9-6+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
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