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USPatent US9890168

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))		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 |r|
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 1n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380786
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnc3n(C)ccc3c2)c2cc[nH]c2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-25(39)32-21-15-22(24(40-6)16-23(21)37(4)13-12-36(2)3)33-29-34-26(20-8-10-30-27(20)35-29)19-14-18-9-11-38(5)28(18)31-17-19/h7-11,14-17H,1,12-13H2,2-6H3,(H,32,39)(H2,30,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(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 2n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
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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n/an/a 3n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380787
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C30H34N8O2/c1-7-27(39)32-22-16-23(26(40-6)17-25(22)37(4)15-14-36(2)3)33-30-34-28(20-12-13-31-29(20)35-30)21-18-38(5)24-11-9-8-10-19(21)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,32,39)(H2,31,33,34,35)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(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 |r|
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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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380785
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1
Show InChI InChI=1S/C26H36N8O6S/c1-7-23(36)27-19-12-20(22(39-5)13-21(19)32(4)11-10-31(2)3)28-26-29-24-18(8-9-33(24)16-35)25(30-26)40-17-14-34(15-17)41(6,37)38/h7-9,12-13,17,35H,1,10-11,14-16H2,2-6H3,(H,27,36)(H,28,29,30)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380788
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cccnc2)c2cc[nH]c2n1
Show InChI InChI=1S/C26H30N8O2/c1-6-23(35)29-19-14-20(22(36-5)15-21(19)34(4)13-12-33(2)3)30-26-31-24(17-8-7-10-27-16-17)18-9-11-28-25(18)32-26/h6-11,14-16H,1,12-13H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380787
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C30H34N8O2/c1-7-27(39)32-22-16-23(26(40-6)17-25(22)37(4)15-14-36(2)3)33-30-34-28(20-12-13-31-29(20)35-30)21-18-38(5)24-11-9-8-10-19(21)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,32,39)(H2,31,33,34,35)
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n/an/a 15n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380789
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2ccccc2)c2cc[nH]c2n1
Show InChI InChI=1S/C27H31N7O2/c1-6-24(35)29-20-16-21(23(36-5)17-22(20)34(4)15-14-33(2)3)30-27-31-25(18-10-8-7-9-11-18)19-12-13-28-26(19)32-27/h6-13,16-17H,1,14-15H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380791
PNG
(N-(2-(2-(dimethylamino)etboxy)-4-methoxy-5-(4-(1-m...)
Show SMILES COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C24H28N8O3/c1-6-21(33)27-18-11-17(19(34-5)12-20(18)35-10-9-31(2)3)28-24-29-22(15-13-26-32(4)14-15)16-7-8-25-23(16)30-24/h6-8,11-14H,1,9-10H2,2-5H3,(H,27,33)(H2,25,28,29,30)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380786
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnc3n(C)ccc3c2)c2cc[nH]c2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-25(39)32-21-15-22(24(40-6)16-23(21)37(4)13-12-36(2)3)33-29-34-26(20-8-10-30-27(20)35-29)19-14-18-9-11-38(5)28(18)31-17-19/h7-11,14-17H,1,12-13H2,2-6H3,(H,32,39)(H2,30,33,34,35)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380784
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H34N8O3/c1-6-22(34)27-18-15-19(21(35-5)16-20(18)32(4)10-9-31(2)3)28-25-29-23-17(7-8-26-23)24(30-25)33-11-13-36-14-12-33/h6-8,15-16H,1,9-14H2,2-5H3,(H,27,34)(H2,26,28,29,30)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380794
PNG
(N-(5-(5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-7H-pyr...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2c(Cl)c[nH]c2n1
Show InChI InChI=1S/C25H28ClN9O2/c1-5-21(36)29-17-10-18(20(37-4)11-19(17)35-8-6-33(2)7-9-35)30-25-31-23(15-12-28-34(3)14-15)22-16(26)13-27-24(22)32-25/h5,10-14H,1,6-9H2,2-4H3,(H,29,36)(H2,27,30,31,32)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380785
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1
Show InChI InChI=1S/C26H36N8O6S/c1-7-23(36)27-19-12-20(22(39-5)13-21(19)32(4)11-10-31(2)3)28-26-29-24-18(8-9-33(24)16-35)25(30-26)40-17-14-34(15-17)41(6,37)38/h7-9,12-13,17,35H,1,10-11,14-16H2,2-6H3,(H,27,36)(H,28,29,30)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380793
PNG
(N-(4-methoxy-5-(4-(1-methyl-1H-pyrazol-4-yl)-7H-py...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H29N9O2/c1-5-22(35)28-18-12-19(21(36-4)13-20(18)34-10-8-32(2)9-11-34)29-25-30-23(16-14-27-33(3)15-16)17-6-7-26-24(17)31-25/h5-7,12-15H,1,8-11H2,2-4H3,(H,28,35)(H2,26,29,30,31)
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n/an/a 98n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380795
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2c(C)c[nH]c2n1
Show InChI InChI=1S/C28H35N9O2/c1-7-24(38)31-20-12-21(23(39-6)13-22(20)37-10-8-19(9-11-37)35(3)4)32-28-33-26(18-15-30-36(5)16-18)25-17(2)14-29-27(25)34-28/h7,12-16,19H,1,8-11H2,2-6H3,(H,31,38)(H2,29,32,33,34)
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n/an/a 110n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380792
PNG
(N-(2-(3-(dimethylamino)azetidin-1-yl)-4-methoxy-5-...)
Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H29N9O2/c1-6-22(35)28-18-9-19(21(36-5)10-20(18)34-13-16(14-34)32(2)3)29-25-30-23(15-11-27-33(4)12-15)17-7-8-26-24(17)31-25/h6-12,16H,1,13-14H2,2-5H3,(H,28,35)(H2,26,29,30,31)
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n/an/a 197n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380789
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2ccccc2)c2cc[nH]c2n1
Show InChI InChI=1S/C27H31N7O2/c1-6-24(35)29-20-16-21(23(36-5)17-22(20)34(4)15-14-33(2)3)30-27-31-25(18-10-8-7-9-11-18)19-12-13-28-26(19)32-27/h6-13,16-17H,1,14-15H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 315n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380788
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cccnc2)c2cc[nH]c2n1
Show InChI InChI=1S/C26H30N8O2/c1-6-23(35)29-19-14-20(22(36-5)15-21(19)34(4)13-12-33(2)3)30-26-31-24(17-8-7-10-27-16-17)18-9-11-28-25(18)32-26/h6-11,14-16H,1,12-13H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 347n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
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n/an/a 393n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380791
PNG
(N-(2-(2-(dimethylamino)etboxy)-4-methoxy-5-(4-(1-m...)
Show SMILES COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C24H28N8O3/c1-6-21(33)27-18-11-17(19(34-5)12-20(18)35-10-9-31(2)3)28-24-29-22(15-13-26-32(4)14-15)16-7-8-25-23(16)30-24/h6-8,11-14H,1,9-10H2,2-5H3,(H,27,33)(H2,25,28,29,30)
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n/an/a 578n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380794
PNG
(N-(5-(5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-7H-pyr...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2c(Cl)c[nH]c2n1
Show InChI InChI=1S/C25H28ClN9O2/c1-5-21(36)29-17-10-18(20(37-4)11-19(17)35-8-6-33(2)7-9-35)30-25-31-23(15-12-28-34(3)14-15)22-16(26)13-27-24(22)32-25/h5,10-14H,1,6-9H2,2-4H3,(H,29,36)(H2,27,30,31,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380793
PNG
(N-(4-methoxy-5-(4-(1-methyl-1H-pyrazol-4-yl)-7H-py...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H29N9O2/c1-5-22(35)28-18-12-19(21(36-4)13-20(18)34-10-8-32(2)9-11-34)29-25-30-23(16-14-27-33(3)15-16)17-6-7-26-24(17)31-25/h5-7,12-15H,1,8-11H2,2-4H3,(H,28,35)(H2,26,29,30,31)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380792
PNG
(N-(2-(3-(dimethylamino)azetidin-1-yl)-4-methoxy-5-...)
Show SMILES COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H29N9O2/c1-6-22(35)28-18-9-19(21(36-5)10-20(18)34-13-16(14-34)32(2)3)29-25-30-23(15-11-27-33(4)12-15)17-7-8-26-24(17)31-25/h6-12,16H,1,13-14H2,2-5H3,(H,28,35)(H2,26,29,30,31)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380795
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2c(C)c[nH]c2n1
Show InChI InChI=1S/C28H35N9O2/c1-7-24(38)31-20-12-21(23(39-6)13-22(20)37-10-8-19(9-11-37)35(3)4)32-28-33-26(18-15-30-36(5)16-18)25-17(2)14-29-27(25)34-28/h7,12-16,19H,1,8-11H2,2-6H3,(H,31,38)(H2,29,32,33,34)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380784
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H34N8O3/c1-6-22(34)27-18-15-19(21(35-5)16-20(18)32(4)10-9-31(2)3)28-25-29-23-17(7-8-26-23)24(30-25)33-11-13-36-14-12-33/h6-8,15-16H,1,9-14H2,2-5H3,(H,27,34)(H2,26,28,29,30)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
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Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM380798
PNG
(US9890168, Compound Comparative compound 1)
Show SMILES COc1cc(ccc1Nc1nc(-c2cccc(NC(=O)C=C)c2)c2cc[nH]c2n1)N(C)CCN(C)C
Show InChI InChI=1S/C27H31N7O2/c1-6-24(35)29-19-9-7-8-18(16-19)25-21-12-13-28-26(21)32-27(31-25)30-22-11-10-20(17-23(22)36-5)34(4)15-14-33(2)3/h6-13,16-17H,1,14-15H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM380798
PNG
(US9890168, Compound Comparative compound 1)
Show SMILES COc1cc(ccc1Nc1nc(-c2cccc(NC(=O)C=C)c2)c2cc[nH]c2n1)N(C)CCN(C)C
Show InChI InChI=1S/C27H31N7O2/c1-6-24(35)29-19-9-7-8-18(16-19)25-21-12-13-28-26(21)32-27(31-25)30-22-11-10-20(17-23(22)36-5)34(4)15-14-33(2)3/h6-13,16-17H,1,14-15H2,2-5H3,(H,29,35)(H2,28,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...

J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%