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Found 14 hits Enz. Inhib. hit(s) with Target = 'EGF-R Tyrosine Kinase Mutant (L858R)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27970
PNG
(1-{4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex...)
Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC3CC3)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C34H41N9O/c1-44-29-5-3-2-4-23(29)19-30-38-27-13-8-24(18-28(27)39-30)32-31-33(35)36-21-37-34(31)43(40-32)26-11-9-25(10-12-26)42-16-14-41(15-17-42)20-22-6-7-22/h2-5,8,13,18,21-22,25-26H,6-7,9-12,14-17,19-20H2,1H3,(H,38,39)(H2,35,36,37)/t25-,26-
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n/an/a 3n/an/an/an/a7.523



Abbott Laboratories



Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27968
PNG
(4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H-1,...)
Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(=O)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C33H40N10O2/c1-40(2)33(44)42-16-14-41(15-17-42)23-9-11-24(12-10-23)43-32-29(31(34)35-20-36-32)30(39-43)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)45-3/h4-8,13,18,20,23-24H,9-12,14-17,19H2,1-3H3,(H,37,38)(H2,34,35,36)/t23-,24-
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n/an/a 25n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


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More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27967
PNG
(ethyl 4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]...)
Show SMILES CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12
Show InChI InChI=1S/C33H39N9O3/c1-3-45-33(43)41-16-14-40(15-17-41)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(39-42)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)44-2/h4-8,13,18,20,23-24H,3,9-12,14-17,19H2,1-2H3,(H,37,38)(H2,34,35,36)/t23-,24-
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n/an/a 30n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27965
PNG
(3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-...)
Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C30H35N9O/c1-40-25-5-3-2-4-19(25)17-26-35-23-11-6-20(16-24(23)36-26)28-27-29(31)33-18-34-30(27)39(37-28)22-9-7-21(8-10-22)38-14-12-32-13-15-38/h2-6,11,16,18,21-22,32H,7-10,12-15,17H2,1H3,(H,35,36)(H2,31,33,34)/t21-,22-
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n/an/a 30n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27969
PNG
(3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-...)
Show SMILES COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12
Show InChI InChI=1S/C34H43N9O2/c1-44-19-5-14-41-15-17-42(18-16-41)25-9-11-26(12-10-25)43-34-31(33(35)36-22-37-34)32(40-43)24-8-13-27-28(20-24)39-30(38-27)21-23-6-3-4-7-29(23)45-2/h3-4,6-8,13,20,22,25-26H,5,9-12,14-19,21H2,1-2H3,(H,38,39)(H2,35,36,37)/t25-,26-
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n/an/a 58n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27964
PNG
(3-(2-(2-methoxybenzyl)-1H-benzo[d]imidazol-5-yl)-1...)
Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C30H34N8O2/c1-39-25-5-3-2-4-19(25)17-26-34-23-11-6-20(16-24(23)35-26)28-27-29(31)32-18-33-30(27)38(36-28)22-9-7-21(8-10-22)37-12-14-40-15-13-37/h2-6,11,16,18,21-22H,7-10,12-15,17H2,1H3,(H,34,35)(H2,31,32,33)/t21-,22-
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n/an/a 58n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27963
PNG
(3-(2-(2-chlorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-...)
Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C29H31ClN8O/c30-22-4-2-1-3-18(22)16-25-34-23-10-5-19(15-24(23)35-25)27-26-28(31)32-17-33-29(26)38(36-27)21-8-6-20(7-9-21)37-11-13-39-14-12-37/h1-5,10,15,17,20-21H,6-9,11-14,16H2,(H,34,35)(H2,31,32,33)/t20-,21-
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n/an/a 65n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27966
PNG
(1-{4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H...)
Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C32H37N9O2/c1-20(42)39-13-15-40(16-14-39)23-8-10-24(11-9-23)41-32-29(31(33)34-19-35-32)30(38-41)22-7-12-25-26(17-22)37-28(36-25)18-21-5-3-4-6-27(21)43-2/h3-7,12,17,19,23-24H,8-11,13-16,18H2,1-2H3,(H,36,37)(H2,33,34,35)/t23-,24-
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n/an/a 130n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27961
PNG
(3-(2-benzyl-1H-1,3-benzodiazol-6-yl)-1-[4-(morphol...)
Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N8O/c30-28-26-27(20-6-11-23-24(17-20)34-25(33-23)16-19-4-2-1-3-5-19)35-37(29(26)32-18-31-28)22-9-7-21(8-10-22)36-12-14-38-15-13-36/h1-6,11,17-18,21-22H,7-10,12-16H2,(H,33,34)(H2,30,31,32)/t21-,22-
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n/an/a 270n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM27962
PNG
(1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(thiophen-...)
Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5cccs5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C27H30N8OS/c28-26-24-25(17-3-8-21-22(14-17)32-23(31-21)15-20-2-1-13-37-20)33-35(27(24)30-16-29-26)19-6-4-18(5-7-19)34-9-11-36-12-10-34/h1-3,8,13-14,16,18-19H,4-7,9-12,15H2,(H,31,32)(H2,28,29,30)/t18-,19-
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n/an/a 361n/an/an/an/a7.523



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Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...


Citation and Details
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM26105
PNG
(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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n/an/an/a 1.10n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a 2.40n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM26105
PNG
(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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n/an/an/a 1.70n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (L858R)


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a 2.60n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)