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Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'zhao' and Initial = 'hy'   
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))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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n/an/a 0.900n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458066
PNG
(CHEMBL4203016)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1
Show InChI InChI=1S/C30H37N9/c1-37(2)23-13-17-38(18-14-23)24-11-12-27(31-20-24)35-28-19-25-26(21-32-28)34-30(33-22-9-5-3-6-10-22)36-29(25)39-15-7-4-8-16-39/h3,5-6,9-12,19-21,23H,4,7-8,13-18H2,1-2H3,(H,31,32,35)(H,33,34,36)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458067
PNG
(CHEMBL4215080)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4F)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H33F2N9O/c1-38(2)20-7-9-39(10-8-20)21-4-6-26(32-17-21)36-27-16-22-25(18-33-27)35-29(34-24-5-3-19(30)15-23(24)31)37-28(22)40-11-13-41-14-12-40/h3-6,15-18,20H,7-14H2,1-2H3,(H,32,33,36)(H,34,35,37)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin)

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458068
PNG
(CHEMBL4206716)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1
Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458062
PNG
(CHEMBL4209019)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4)nc3cn2)N2CCC(CO)CC2)nc1
Show InChI InChI=1S/C31H38FN9O/c1-39(2)24-11-15-40(16-12-24)25-7-8-28(33-18-25)37-29-17-26-27(19-34-29)36-31(35-23-5-3-22(32)4-6-23)38-30(26)41-13-9-21(20-42)10-14-41/h3-8,17-19,21,24,42H,9-16,20H2,1-2H3,(H,33,34,37)(H,35,36,38)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458068
PNG
(CHEMBL4206716)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1
Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461172
PNG
(CHEMBL4228518)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50274957
PNG
(CHEMBL4127809)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r|
Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458060
PNG
(CHEMBL4215076)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H34FN9O/c1-37(2)22-9-11-38(12-10-22)23-7-8-26(31-18-23)35-27-17-24-25(19-32-27)34-29(33-21-5-3-20(30)4-6-21)36-28(24)39-13-15-40-16-14-39/h3-8,17-19,22H,9-16H2,1-2H3,(H,31,32,35)(H,33,34,36)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50461174
PNG
(CHEMBL4226676)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458065
PNG
(CHEMBL4212884)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCC2)nc1
Show InChI InChI=1S/C29H35N9/c1-36(2)22-12-16-37(17-13-22)23-10-11-26(30-19-23)34-27-18-24-25(20-31-27)33-29(32-21-8-4-3-5-9-21)35-28(24)38-14-6-7-15-38/h3-5,8-11,18-20,22H,6-7,12-17H2,1-2H3,(H,30,31,34)(H,32,33,35)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50274925
PNG
(CHEMBL4126810)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(N[C@H]4CCCN(C)C4)nc(Nc4ccccc4)nc3cn2)nc1 |r|
Show InChI InChI=1S/C29H36N10/c1-37-13-15-39(16-14-37)23-10-11-26(30-18-23)35-27-17-24-25(19-31-27)34-29(33-21-7-4-3-5-8-21)36-28(24)32-22-9-6-12-38(2)20-22/h3-5,7-8,10-11,17-19,22H,6,9,12-16,20H2,1-2H3,(H,30,31,35)(H2,32,33,34,36)/t22-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461178
PNG
(CHEMBL4225777)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-31(2)14-17-34-21-10-8-19(9-11-21)28-25-27-18-23-24(30-25)32(20-12-15-33-16-13-20)26(29-23)35-22-6-4-3-5-7-22/h3-11,18,20H,12-17H2,1-2H3,(H,27,28,30)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461174
PNG
(CHEMBL4226676)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C29H35N7OS/c1-34(2)22-12-16-35(17-13-22)23-10-8-21(9-11-23)31-28-30-20-26-27(33-28)36(24-14-18-37-19-15-24)29(32-26)38-25-6-4-3-5-7-25/h3-11,20,22,24H,12-19H2,1-2H3,(H,30,31,33)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50274925
PNG
(CHEMBL4126810)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(N[C@H]4CCCN(C)C4)nc(Nc4ccccc4)nc3cn2)nc1 |r|
Show InChI InChI=1S/C29H36N10/c1-37-13-15-39(16-14-37)23-10-11-26(30-18-23)35-27-17-24-25(19-31-27)34-29(33-21-7-4-3-5-8-21)36-28(24)32-22-9-6-12-38(2)20-22/h3-5,7-8,10-11,17-19,22H,6,9,12-16,20H2,1-2H3,(H,30,31,35)(H2,32,33,34,36)/t22-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461179
PNG
(CHEMBL4226151)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C27H31N7OS/c1-32-13-15-33(16-14-32)21-9-7-20(8-10-21)29-26-28-19-24-25(31-26)34(22-11-17-35-18-12-22)27(30-24)36-23-5-3-2-4-6-23/h2-10,19,22H,11-18H2,1H3,(H,28,29,31)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458067
PNG
(CHEMBL4215080)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4F)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H33F2N9O/c1-38(2)20-7-9-39(10-8-20)21-4-6-26(32-17-21)36-27-16-22-25(18-33-27)35-29(34-24-5-3-19(30)15-23(24)31)37-28(22)40-11-13-41-14-12-40/h3-6,15-18,20H,7-14H2,1-2H3,(H,32,33,36)(H,34,35,37)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458063
PNG
(CHEMBL4206288)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C27H31N9O/c1-34-9-11-35(12-10-34)21-7-8-24(28-18-21)32-25-17-22-23(19-29-25)31-27(30-20-5-3-2-4-6-20)33-26(22)36-13-15-37-16-14-36/h2-8,17-19H,9-16H2,1H3,(H,28,29,32)(H,30,31,33)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458058
PNG
(CHEMBL4206166)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC(CO)CC2)nc1
Show InChI InChI=1S/C31H39N9O/c1-38(2)24-12-16-39(17-13-24)25-8-9-28(32-19-25)36-29-18-26-27(20-33-29)35-31(34-23-6-4-3-5-7-23)37-30(26)40-14-10-22(21-41)11-15-40/h3-9,18-20,22,24,41H,10-17,21H2,1-2H3,(H,32,33,36)(H,34,35,37)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458059
PNG
(CHEMBL4209801)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCC2)nc1
Show InChI InChI=1S/C27H31N9/c1-34-13-15-35(16-14-34)21-9-10-24(28-18-21)32-25-17-22-23(19-29-25)31-27(30-20-7-3-2-4-8-20)33-26(22)36-11-5-6-12-36/h2-4,7-10,17-19H,5-6,11-16H2,1H3,(H,28,29,32)(H,30,31,33)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461175
PNG
(CHEMBL4225565)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n([C@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:26.27,wD:29.31,(49.16,-41.25,;49.17,-39.71,;47.83,-38.93,;47.84,-37.4,;49.17,-36.63,;50.51,-37.39,;50.5,-38.94,;49.17,-35.09,;47.84,-34.31,;47.84,-32.77,;49.17,-32.01,;49.17,-30.47,;50.51,-29.7,;50.51,-28.16,;51.84,-27.39,;53.17,-28.15,;54.65,-27.67,;55.56,-28.92,;57.1,-28.92,;57.87,-27.59,;59.41,-27.6,;60.18,-26.26,;59.41,-24.93,;57.86,-24.93,;57.1,-26.27,;54.65,-30.18,;55.13,-31.64,;56.63,-31.96,;57.1,-33.43,;56.07,-34.57,;56.54,-36.04,;54.56,-34.24,;54.09,-32.78,;53.17,-29.7,;51.84,-30.47,;50.5,-32.77,;50.51,-34.31,)|
Show InChI InChI=1S/C28H33N7OS/c1-33-15-17-34(18-16-33)21-9-7-20(8-10-21)30-27-29-19-25-26(32-27)35(22-11-13-23(36)14-12-22)28(31-25)37-24-5-3-2-4-6-24/h2-10,19,22-23,36H,11-18H2,1H3,(H,29,30,32)/t22-,23-
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R/T790M double mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence a...

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50461172
PNG
(CHEMBL4228518)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458060
PNG
(CHEMBL4215076)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H34FN9O/c1-37(2)22-9-11-38(12-10-22)23-7-8-26(31-18-23)35-27-17-24-25(19-32-27)34-29(33-21-5-3-20(30)4-6-21)36-28(24)39-13-15-40-16-14-39/h3-8,17-19,22H,9-16H2,1-2H3,(H,31,32,35)(H,33,34,36)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461176
PNG
(CHEMBL4227084)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc([S+]([O-])c4ccccc4)n(C4CCOCC4)c3n2)cc1
Show InChI InChI=1S/C26H30N6O3S/c1-31(2)14-17-35-21-10-8-19(9-11-21)28-25-27-18-23-24(30-25)32(20-12-15-34-16-13-20)26(29-23)36(33)22-6-4-3-5-7-22/h3-11,18,20H,12-17H2,1-2H3,(H,27,28,30)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50460744
PNG
(CHEMBL4227381)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H26N6O3/c1-33-24-18(12-26)10-19(13-27-24)17-2-3-22-21(11-17)23(29-15-28-22)30-20-4-7-31(14-20)25(32)16-5-8-34-9-6-16/h2-3,10-11,13,15-16,20H,4-9,14H2,1H3,(H,28,29,30)/t20-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50274995
PNG
(CHEMBL4125764)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@H](C2)NC(=O)C=C)nc1 |r|
Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m1/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50460750
PNG
(CHEMBL4227461)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCCCC3)c2c1 |r|
Show InChI InChI=1S/C25H29N5O2/c1-32-23-10-8-19(14-26-23)18-7-9-22-21(13-18)24(28-16-27-22)29-20-11-12-30(15-20)25(31)17-5-3-2-4-6-17/h7-10,13-14,16-17,20H,2-6,11-12,15H2,1H3,(H,27,28,29)/t20-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50460756
PNG
(CHEMBL4225346)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C25H23N5O2/c1-32-23-10-8-19(14-26-23)18-7-9-22-21(13-18)24(28-16-27-22)29-20-11-12-30(15-20)25(31)17-5-3-2-4-6-17/h2-10,13-14,16,20H,11-12,15H2,1H3,(H,27,28,29)/t20-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50460753
PNG
(CHEMBL4228571)
Show SMILES COc1ncc(cc1[N+]([O-])=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C24H26N6O5/c1-34-23-21(30(32)33)11-17(12-25-23)16-2-3-20-19(10-16)22(27-14-26-20)28-18-4-7-29(13-18)24(31)15-5-8-35-9-6-15/h2-3,10-12,14-15,18H,4-9,13H2,1H3,(H,26,27,28)/t18-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458058
PNG
(CHEMBL4206166)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC(CO)CC2)nc1
Show InChI InChI=1S/C31H39N9O/c1-38(2)24-12-16-39(17-13-24)25-8-9-28(32-19-25)36-29-18-26-27(20-33-29)35-31(34-23-6-4-3-5-7-23)37-30(26)40-14-10-22(21-41)11-15-40/h3-9,18-20,22,24,41H,10-17,21H2,1-2H3,(H,32,33,36)(H,34,35,37)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50274957
PNG
(CHEMBL4127809)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r|
Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM50511906
PNG
(CHEMBL4435830 | US11045448, Cpd. No. 57)
Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39-/m0/s1
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TBA



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


(Homo sapiens (Human))		BDBM50274924
PNG
(CHEMBL4127897)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(N[C@@H]4CCN(C4)C(=O)C=C)nc(Nc4ccccc4)nc3cn2)nc1 |r|
Show InChI InChI=1S/C30H34N10O/c1-3-28(41)40-12-11-22(20-40)33-29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,31,32,36)(H2,33,34,35,37)/t22-/m1/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay

Bioorg Med Chem 26: 3619-3633 (2018)


Article DOI: 10.1016/j.bmc.2018.05.039
BindingDB Entry DOI: 10.7270/Q2Z3224Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50460749
PNG
(CHEMBL4229081)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-31-22-5-3-18(13-25-22)17-2-4-21-20(12-17)23(27-15-26-21)28-19-6-9-29(14-19)24(30)16-7-10-32-11-8-16/h2-5,12-13,15-16,19H,6-11,14H2,1H3,(H,26,27,28)/t19-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay

Bioorg Med Chem 26: 2028-2040 (2018)


Article DOI: 10.1016/j.bmc.2018.03.002
BindingDB Entry DOI: 10.7270/Q2Z89G25
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458069
PNG
(CHEMBL4217992)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H35N9O/c1-36(2)22-10-12-37(13-11-22)23-8-9-26(30-19-23)34-27-18-24-25(20-31-27)33-29(32-21-6-4-3-5-7-21)35-28(24)38-14-16-39-17-15-38/h3-9,18-20,22H,10-17H2,1-2H3,(H,30,31,34)(H,32,33,35)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay

Eur J Med Chem 148: 221-237 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.051
BindingDB Entry DOI: 10.7270/Q2H70JF4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461180
PNG
(CHEMBL4225306)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Sc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H31N7S/c1-32-15-17-33(18-16-32)21-13-11-20(12-14-21)29-26-28-19-24-25(31-26)34(22-7-5-6-8-22)27(30-24)35-23-9-3-2-4-10-23/h2-4,9-14,19,22H,5-8,15-18H2,1H3,(H,28,29,31)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-3


(Homo sapiens (Human))		BDBM50461177
PNG
(CHEMBL4225951)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc([S+]([O-])c4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H31N7OS/c1-32-15-17-33(18-16-32)21-13-11-20(12-14-21)29-26-28-19-24-25(31-26)34(22-7-5-6-8-22)27(30-24)36(35)23-9-3-2-4-10-23/h2-4,9-14,19,22H,5-8,15-18H2,1H3,(H,28,29,31)
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antibodypedia
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n/an/a 4.20n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay

Bioorg Med Chem 26: 2173-2185 (2018)


Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28
More data for this
Ligand-Target Pair
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