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Compile Data Set for Download or QSAR

Found 53 hits of ec50 for UniProtKB: P04626   
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-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in SKBR3 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in BT474 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177856
PNG
(CHEMBL3814219)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177856
PNG
(CHEMBL3814219)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178143
PNG
(CHEMBL3813817)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C25H22N8O2/c1-2-22(35)29-17-6-5-7-18(12-17)33-21-9-4-3-8-19(21)31-25(33)23-24(26)27-14-20(30-23)16-13-28-32(15-16)10-11-34/h2-9,12-15,34H,1,10-11H2,(H2,26,27)(H,29,35)
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n/an/an/an/a 8n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178150
PNG
(CHEMBL3813947)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H20N8O/c1-3-21(33)28-16-7-6-8-17(11-16)32-20-10-5-4-9-18(20)30-24(32)22-23(25)26-13-19(29-22)15-12-27-31(2)14-15/h3-14H,1H2,2H3,(H2,25,26)(H,28,33)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177908
PNG
(CHEMBL3814376)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-21-8-7-9-23(16-21)39-26-11-6-5-10-24(26)36-30(39)28-29(31)32-18-25(35-28)20-17-33-38(19-20)22-12-14-37(4-2)15-13-22/h3,5-11,16-19,22H,1,4,12-15H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


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


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

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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177907
PNG
(CHEMBL3814884)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C31H33N9O/c1-4-28(41)35-22-8-7-9-24(16-22)40-27-11-6-5-10-25(27)37-31(40)29-30(32)33-18-26(36-29)21-17-34-39(19-21)23-12-14-38(15-13-23)20(2)3/h4-11,16-20,23H,1,12-15H2,2-3H3,(H2,32,33)(H,35,41)
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177849
PNG
(CHEMBL3814714)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2cnccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-7-10-30-15-23(24)35-28(38)26-27(29)31-16-22(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178150
PNG
(CHEMBL3813947)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H20N8O/c1-3-21(33)28-16-7-6-8-17(11-16)32-20-10-5-4-9-18(20)30-24(32)22-23(25)26-13-19(29-22)15-12-27-31(2)14-15/h3-14H,1H2,2H3,(H2,25,26)(H,28,33)
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178143
PNG
(CHEMBL3813817)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCO)c1
Show InChI InChI=1S/C25H22N8O2/c1-2-22(35)29-17-6-5-7-18(12-17)33-21-9-4-3-8-19(21)31-25(33)23-24(26)27-14-20(30-23)16-13-28-32(15-16)10-11-34/h2-9,12-15,34H,1,10-11H2,(H2,26,27)(H,29,35)
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n/an/an/an/a 12n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177904
PNG
(CHEMBL3814756)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C32H34N10O2/c1-4-28(43)36-22-8-7-9-24(16-22)42-27-11-6-5-10-25(27)38-32(42)30-31(33)34-18-26(37-30)21-17-35-41(19-21)23-12-14-40(15-13-23)29(44)20-39(2)3/h4-11,16-19,23H,1,12-15,20H2,2-3H3,(H2,33,34)(H,36,43)
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n/an/an/an/a 13n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

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/an/an/a 14n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177907
PNG
(CHEMBL3814884)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C31H33N9O/c1-4-28(41)35-22-8-7-9-24(16-22)40-27-11-6-5-10-25(27)37-31(40)29-30(32)33-18-26(36-29)21-17-34-39(19-21)23-12-14-38(15-13-23)20(2)3/h4-11,16-20,23H,1,12-15H2,2-3H3,(H2,32,33)(H,35,41)
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177909
PNG
(CHEMBL3814819)
Show SMILES CN1CCN(CCn2cc(cn2)-c2cnc(N)c(n2)-c2nc3ccccc3n2-c2cccc(NC(=O)C=C)c2)CC1
Show InChI InChI=1S/C30H32N10O/c1-3-27(41)34-22-7-6-8-23(17-22)40-26-10-5-4-9-24(26)36-30(40)28-29(31)32-19-25(35-28)21-18-33-39(20-21)16-15-38-13-11-37(2)12-14-38/h3-10,17-20H,1,11-16H2,2H3,(H2,31,32)(H,34,41)
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177909
PNG
(CHEMBL3814819)
Show SMILES CN1CCN(CCn2cc(cn2)-c2cnc(N)c(n2)-c2nc3ccccc3n2-c2cccc(NC(=O)C=C)c2)CC1
Show InChI InChI=1S/C30H32N10O/c1-3-27(41)34-22-7-6-8-23(17-22)40-26-10-5-4-9-24(26)36-30(40)28-29(31)32-19-25(35-28)21-18-33-39(20-21)16-15-38-13-11-37(2)12-14-38/h3-10,17-20H,1,11-16H2,2H3,(H2,31,32)(H,34,41)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177904
PNG
(CHEMBL3814756)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C32H34N10O2/c1-4-28(43)36-22-8-7-9-24(16-22)42-27-11-6-5-10-25(27)38-32(42)30-31(33)34-18-26(37-30)21-17-35-41(19-21)23-12-14-40(15-13-23)29(44)20-39(2)3/h4-11,16-19,23H,1,12-15,20H2,2-3H3,(H2,33,34)(H,36,43)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177908
PNG
(CHEMBL3814376)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-21-8-7-9-23(16-21)39-26-11-6-5-10-24(26)36-30(39)28-29(31)32-18-25(35-28)20-17-33-38(19-20)22-12-14-37(4-2)15-13-22/h3,5-11,16-19,22H,1,4,12-15H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177849
PNG
(CHEMBL3814714)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2cnccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-7-10-30-15-23(24)35-28(38)26-27(29)31-16-22(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177905
PNG
(CHEMBL3813997)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(c1)C1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C30H29N9O3/c1-2-26(41)34-20-6-5-7-22(14-20)39-25-9-4-3-8-23(25)36-30(39)28-29(31)32-16-24(35-28)19-15-33-38(17-19)21-10-12-37(13-11-21)27(42)18-40/h2-9,14-17,21,40H,1,10-13,18H2,(H2,31,32)(H,34,41)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178140
PNG
(CHEMBL3814824)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1
Show InChI InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177906
PNG
(CHEMBL3815124)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H29N9O2/c1-3-27(41)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-30(39)28-29(31)32-17-25(35-28)20-16-33-38(18-20)22-11-13-37(14-12-22)19(2)40/h3-10,15-18,22H,1,11-14H2,2H3,(H2,31,32)(H,34,41)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177906
PNG
(CHEMBL3815124)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H29N9O2/c1-3-27(41)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-30(39)28-29(31)32-17-25(35-28)20-16-33-38(18-20)22-11-13-37(14-12-22)19(2)40/h3-10,15-18,22H,1,11-14H2,2H3,(H2,31,32)(H,34,41)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177900
PNG
(CHEMBL3814957)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1F |(6.08,-10.99,;6.39,-9.79,;7.87,-9.38,;8.25,-7.88,;7.15,-6.81,;5.67,-7.22,;5.29,-8.72,;7.42,-5.29,;6.35,-4.19,;7.09,-2.85,;8.59,-3.09,;8.81,-4.62,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;3.43,-5.54,;1.91,-5.34,;.97,-6.57,;1.57,-7.99,;2.79,-8.14,;.64,-9.21,;1.12,-10.35,;1.31,-3.92,;.09,-3.76,)|
Show InChI InChI=1S/C29H28FN9O/c1-3-25(40)34-21-8-6-10-24(26(21)30)39-23-9-5-4-7-20(23)36-29(39)27-28(31)32-16-22(35-27)18-15-33-38(17-18)19-11-13-37(2)14-12-19/h3-10,15-17,19H,1,11-14H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178140
PNG
(CHEMBL3814824)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1
Show InChI InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177905
PNG
(CHEMBL3813997)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(c1)C1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C30H29N9O3/c1-2-26(41)34-20-6-5-7-22(14-20)39-25-9-4-3-8-23(25)36-30(39)28-29(31)32-16-24(35-28)19-15-33-38(17-19)21-10-12-37(13-11-21)27(42)18-40/h2-9,14-17,21,40H,1,10-13,18H2,(H2,31,32)(H,34,41)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177900
PNG
(CHEMBL3814957)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1F |(6.08,-10.99,;6.39,-9.79,;7.87,-9.38,;8.25,-7.88,;7.15,-6.81,;5.67,-7.22,;5.29,-8.72,;7.42,-5.29,;6.35,-4.19,;7.09,-2.85,;8.59,-3.09,;8.81,-4.62,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;3.43,-5.54,;1.91,-5.34,;.97,-6.57,;1.57,-7.99,;2.79,-8.14,;.64,-9.21,;1.12,-10.35,;1.31,-3.92,;.09,-3.76,)|
Show InChI InChI=1S/C29H28FN9O/c1-3-25(40)34-21-8-6-10-24(26(21)30)39-23-9-5-4-7-20(23)36-29(39)27-28(31)32-16-22(35-27)18-15-33-38(17-18)19-11-13-37(2)14-12-19/h3-10,15-17,19H,1,11-14H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177901
PNG
(CHEMBL3813756)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F |(14.13,-7.05,;13,-6.56,;11.76,-7.47,;10.35,-6.86,;10.17,-5.33,;11.41,-4.41,;12.82,-5.03,;8.81,-4.61,;8.59,-3.09,;7.09,-2.85,;6.36,-4.19,;7.43,-5.29,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;5.9,-4.51,;6.49,-5.93,;5.86,-6.75,;8.01,-6.13,;8.49,-7.27,;3.43,-5.54,;1.91,-5.34,;1.31,-3.92,;.09,-3.76,)|
Show InChI InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177901
PNG
(CHEMBL3813756)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F |(14.13,-7.05,;13,-6.56,;11.76,-7.47,;10.35,-6.86,;10.17,-5.33,;11.41,-4.41,;12.82,-5.03,;8.81,-4.61,;8.59,-3.09,;7.09,-2.85,;6.36,-4.19,;7.43,-5.29,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;5.9,-4.51,;6.49,-5.93,;5.86,-6.75,;8.01,-6.13,;8.49,-7.27,;3.43,-5.54,;1.91,-5.34,;1.31,-3.92,;.09,-3.76,)|
Show InChI InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 81n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in A431 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177846
PNG
(CHEMBL3814620)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccncc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-16-30-10-7-22(24)35-28(38)26-27(29)31-15-23(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177858
PNG
(CHEMBL3814859)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-8-10-22(11-9-20)38-25-7-5-4-6-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-12-14-36(2)15-13-21/h3-11,16-18,21H,1,12-15H2,2H3,(H2,30,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177846
PNG
(CHEMBL3814620)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccncc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-16-30-10-7-22(24)35-28(38)26-27(29)31-15-23(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177862
PNG
(CHEMBL3814572)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O/c1-4-27(40)37(3)22-8-7-9-23(16-22)39-26-11-6-5-10-24(26)35-30(39)28-29(31)32-18-25(34-28)20-17-33-38(19-20)21-12-14-36(2)15-13-21/h4-11,16-19,21H,1,12-15H2,2-3H3,(H2,31,32)
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n/an/an/an/a 250n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177855
PNG
(CHEMBL3814482)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-8-6-7-20(15-22)18-38-26-10-5-4-9-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-11-13-37(2)14-12-23/h3-10,15-17,19,23H,1,11-14,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 280n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177855
PNG
(CHEMBL3814482)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-8-6-7-20(15-22)18-38-26-10-5-4-9-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-11-13-37(2)14-12-23/h3-10,15-17,19,23H,1,11-14,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 360n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177886
PNG
(CHEMBL3814961)
Show SMILES COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 370n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177862
PNG
(CHEMBL3814572)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O/c1-4-27(40)37(3)22-8-7-9-23(16-22)39-26-11-6-5-10-24(26)35-30(39)28-29(31)32-18-25(34-28)20-17-33-38(19-20)21-12-14-36(2)15-13-21/h4-11,16-19,21H,1,12-15H2,2-3H3,(H2,31,32)
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n/an/an/an/a 390n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50157333
PNG
(CHEMBL3781433)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c2=O)cc1 |r|
Show InChI InChI=1/C25H28ClN5O3/c1-30-11-13-31(14-12-30)20-7-5-19(6-8-20)29-25(34)23-21(9-10-27-24(23)33)28-16-22(32)17-3-2-4-18(26)15-17/h2-10,15,22,32H,11-14,16H2,1H3,(H,29,34)(H2,27,28,33)/t22-/s2
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n/an/an/an/a 412n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 1 hr followed by EGF stimulation for 8 mins by ele...


ACS Med Chem Lett 7: 100-4 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50157909
PNG
(CHEMBL3781897)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C25H28N4O3/c1-29-15-12-18(13-16-29)17-7-9-19(10-8-17)27-25(31)23-21(11-14-26-24(23)30)28-20-5-3-4-6-22(20)32-2/h3-11,14,18H,12-13,15-16H2,1-2H3,(H,27,31)(H2,26,28,30)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 1 hr followed by EGF stimulation for 8 mins by ele...


ACS Med Chem Lett 7: 100-4 (2016)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177858
PNG
(CHEMBL3814859)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-8-10-22(11-9-20)38-25-7-5-4-6-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-12-14-36(2)15-13-21/h3-11,16-18,21H,1,12-15H2,2H3,(H2,30,31)(H,33,39)
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n/an/an/an/a 550n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 690n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in SW620 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50157311
PNG
(CHEMBL3780090)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N5O3/c1-28-13-15-29(16-14-28)18-9-7-17(8-10-18)26-24(31)22-20(11-12-25-23(22)30)27-19-5-3-4-6-21(19)32-2/h3-12H,13-16H2,1-2H3,(H,26,31)(H2,25,27,30)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 1 hr followed by EGF stimulation for 8 mins by ele...


ACS Med Chem Lett 7: 100-4 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177886
PNG
(CHEMBL3814961)
Show SMILES COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 1.34E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178156
PNG
(CHEMBL3814878)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCCNC(=O)C=C
Show InChI InChI=1S/C26H31N9O/c1-3-23(36)28-11-6-12-34-22-8-5-4-7-20(22)32-26(34)24-25(27)29-16-21(31-24)18-15-30-35(17-18)19-9-13-33(2)14-10-19/h3-5,7-8,15-17,19H,1,6,9-14H2,2H3,(H2,27,29)(H,28,36)
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n/an/an/an/a 1.71E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177853
PNG
(CHEMBL3813995)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-10-8-20(9-11-22)18-38-26-7-5-4-6-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-12-14-37(2)15-13-23/h3-11,16-17,19,23H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 1.78E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177853
PNG
(CHEMBL3813995)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-10-8-20(9-11-22)18-38-26-7-5-4-6-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-12-14-37(2)15-13-23/h3-11,16-17,19,23H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 5.06E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177902
PNG
(CHEMBL3814484)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C28H29N9O/c1-18(38)32-20-6-5-7-22(14-20)37-25-9-4-3-8-23(25)34-28(37)26-27(29)30-16-24(33-26)19-15-31-36(17-19)21-10-12-35(2)13-11-21/h3-9,14-17,21H,10-13H2,1-2H3,(H2,29,30)(H,32,38)
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n/an/an/an/a 8.01E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177861
PNG
(CHEMBL3814150)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C30H31N9O/c1-19(2)30(40)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-29(39)27-28(31)32-17-25(35-27)20-16-33-38(18-20)22-11-13-37(3)14-12-22/h4-10,15-18,22H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 9.13E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


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

More data for this
Ligand-Target Pair
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