Compile Data Set for Download or QSAR
Found 965 Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M,L858R]'
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200809(US9670231, 2.6)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1
Affinity DataIC50: 0.0760nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200810(US9670231, 2.7)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H29F3N6O4/c1-38-8-10-39(11-9-38)15-17-3-2-16(12-21(17)30(31,32)33)28(40)36-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)14-35-29(41)37-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,36,40)(H2,34,35,37,41)/t24-,25-,26-/m0/s1
Affinity DataIC50: 0.0840nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM199995(US9670231, 1.3 | US9670231, 1.34)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1
Affinity DataIC50: 0.0880nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM199967(BDBM200762 | US9670231, 1.1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200795(US9670231, 1.75)
Show SMILES CCN1CCC(CC1)=Cc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C33H31F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,15-17,28-30H,2,6,8,10-11,13-14H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1
Affinity DataIC50: 0.180nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200793(US9670231, 1.74)
Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200548(US9670231, 1.51)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C31H29F3N4O5/c1-38-12-9-17(10-13-38)41-24-5-2-16(14-21(24)31(32,33)34)30(40)37-27-26-20-15-18(3-6-22(20)43-28(26)27)42-23-8-11-35-29-19(23)4-7-25(39)36-29/h2-3,5-6,8,11,14-15,17,26-28H,4,7,9-10,12-13H2,1H3,(H,37,40)(H,35,36,39)/t26-,27-,28-/m0/s1
Affinity DataIC50: 0.210nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200336(US9670231, 1.12)
Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1
Affinity DataIC50: 0.210nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200800(US9670231, 2.1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H30F3N5O5/c1-2-38-9-11-39(12-10-38)15-18-4-3-17(13-22(18)31(32,33)34)29(40)36-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)16-42-30(41)37-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,36,40)(H,35,37,41)/t25-,26-,27-/m0/s1
Affinity DataIC50: 0.25nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM495017(US10994015, Example 313 | US10994015, Example 314)
Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12
Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)
Affinity DataIC50: 0.290nMAssay Description:All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200501(US9670231, 1.29)
Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1
Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200218(US9670231, 1.9)
Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1
Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27-,28-,29-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM50555575(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)
Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
Affinity DataIC50: 0.300nMAssay Description:WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200584(US9670231, 1.55)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4c(cc(Oc5ccnc6NC(=O)CCc56)cc4C)C23)CC1
Show InChI InChI=1S/C33H34F3N5O4/c1-3-40-10-12-41(13-11-40)17-20-5-4-19(15-24(20)33(34,35)36)32(43)39-28-27-23-16-21(14-18(2)29(23)45-30(27)28)44-25-8-9-37-31-22(25)6-7-26(42)38-31/h4-5,8-9,14-16,27-28,30H,3,6-7,10-13,17H2,1-2H3,(H,39,43)(H,37,38,42)
Affinity DataIC50: 0.400nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200488(US9670231, 1.20)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1
Affinity DataIC50: 0.420nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM199967(BDBM200762 | US9670231, 1.1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
Affinity DataIC50: 0.460nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200490(US9670231, 1.22)
Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1
Affinity DataIC50: 0.470nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200600(US9670231, 1.56)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4C23)CC1
Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)
Affinity DataIC50: 0.470nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200801(US9670231, 2.2)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H28F3N5O5/c1-37-8-10-38(11-9-37)14-17-3-2-16(12-21(17)30(31,32)33)28(39)35-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)15-41-29(40)36-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,35,39)(H,34,36,40)/t24-,25-,26-/m0/s1
Affinity DataIC50: 0.490nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM414541(US10435400, Compound Z-54)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnc2n(C)cc(Cl)c2c1
Show InChI InChI=1S/C27H31ClN8O2/c1-7-25(37)31-21-13-22(24(38-6)14-23(21)35(4)11-10-34(2)3)33-27-29-9-8-20(32-27)17-12-18-19(28)16-36(5)26(18)30-15-17/h7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33)
Affinity DataIC50: 0.5nMAssay Description:The inhibitory effects of compounds to be tested on double mutant EGFR kinase (EGFR T790M/L858R Kinase) (Invitrogen, PV4879) and wild-type EGFR kinas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200491(US9670231, 1.23)
Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H30BrN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1
Affinity DataIC50: 0.520nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200499(US9670231, 1.27)
Show SMILES FC(F)(F)c1cc(ccc1CN1CCNCC1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C30H28F3N5O4/c31-30(32,33)21-13-16(1-2-17(21)15-38-11-9-34-10-12-38)29(40)37-26-25-20-14-18(3-5-22(20)42-27(25)26)41-23-7-8-35-28-19(23)4-6-24(39)36-28/h1-3,5,7-8,13-14,25-27,34H,4,6,9-12,15H2,(H,37,40)(H,35,36,39)/t25-,26-,27-/m0/s1
Affinity DataIC50: 0.540nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM330401((S)—N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CN(C4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H23ClFN5O3/c1-2-23(32)31-10-15(11-31)29-21-8-17-20(9-22(21)34-16-5-6-33-12-16)27-13-28-24(17)30-14-3-4-19(26)18(25)7-14/h2-4,7-9,13,15-16,29H,1,5-6,10-12H2,(H,27,28,30)/t16-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200478(US9670231, 1.18)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32ClN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1
Affinity DataIC50: 0.650nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM495016(US10994015, Example 312)
Show SMILES CC(C)n1nc(N2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12
Show InChI InChI=1S/C42H47N13O6S/c1-25(2)55-34-20-36(46-35-9-12-43-38(47-35)27-21-45-53(24-27)62(60,61)29-4-5-29)44-22-32(34)39(49-55)52-17-15-50(16-18-52)23-26-10-13-51(14-11-26)28-3-6-30-31(19-28)42(59)54(41(30)58)33-7-8-37(56)48-40(33)57/h3,6,9,12,19-22,24-26,29,33H,4-5,7-8,10-11,13-18,23H2,1-2H3,(H,48,56,57)(H,43,44,46,47)
Affinity DataIC50: 0.670nMAssay Description:All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200477(US9670231, 1.17)
Show SMILES OCCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O5/c33-32(34,35)23-15-18(1-2-19(23)17-40-11-9-39(10-12-40)13-14-41)31(43)38-28-27-22-16-20(3-5-24(22)45-29(27)28)44-25-7-8-36-30-21(25)4-6-26(42)37-30/h1-3,5,7-8,15-16,27-29,41H,4,6,9-14,17H2,(H,38,43)(H,36,37,42)/t27-,28-,29-/m0/s1
Affinity DataIC50: 0.760nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM330399(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19ClFN5O2/c1-3-20(29)28-9-13(10-28)26-18-7-14-17(8-19(18)30-2)24-11-25-21(14)27-12-4-5-16(23)15(22)6-12/h3-8,11,13,26H,1,9-10H2,2H3,(H,24,25,27)
Affinity DataIC50: 0.800nMAssay Description:EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM195875(US9670213, Compound 020 N-(3-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-19-5-4-6-21(15-19)34-24(36)17-27-22-16-28-26(31-25(22)34)30-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-17H,1,11-14H2,2H3,(H,29,35)(H,28,30,31)
Affinity DataIC50: 0.820nMT: 2°CAssay Description:In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM200807(US9670231, 2.5)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(N)c5)cc4[C@@H]23)CC1
Show InChI InChI=1S/C29H30F3N5O3/c1-2-36-9-11-37(12-10-36)16-18-4-3-17(13-22(18)29(30,31)32)28(38)35-26-25-21-14-19(5-6-23(21)40-27(25)26)39-20-7-8-34-24(33)15-20/h3-8,13-15,25-27H,2,9-12,16H2,1H3,(H2,33,34)(H,35,38)/t25-,26-,27-/m0/s1
Affinity DataIC50: 0.820nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM495012(US10994015, Example 308)
Show SMILES CC(C)n1nc(N2CC(CNCCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(cc3)-c3scnc3C)C(C)(C)C)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12
Show InChI InChI=1S/C53H70N14O8S2/c1-32(2)67-42-22-45(60-44-15-17-55-49(61-44)38-24-58-66(28-38)77(72,73)40-13-14-40)56-25-41(42)50(63-67)64-26-35(27-64)23-54-16-8-18-74-19-20-75-30-46(69)62-48(53(5,6)7)52(71)65-29-39(68)21-43(65)51(70)59-33(3)36-9-11-37(12-10-36)47-34(4)57-31-76-47/h9-12,15,17,22,24-25,28,31-33,35,39-40,43,48,54,68H,8,13-14,16,18-21,23,26-27,29-30H2,1-7H3,(H,59,70)(H,62,69)(H,55,56,60,61)/t33-,39+,43-,48+/m0/s1
Affinity DataIC50: 0.910nMAssay Description:All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM517812(Preparation of N-(5-((4-(1-cyclopropyl-4-fluoro-2-...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cc(F)c2nc(C)n(C3CC3)c2c1
Show InChI InChI=1S/C30H35FN8O2/c1-7-28(40)34-23-16-24(27(41-6)17-25(23)38(5)13-12-37(3)4)36-30-32-11-10-22(35-30)19-14-21(31)29-26(15-19)39(18(2)33-29)20-8-9-20/h7,10-11,14-17,20H,1,8-9,12-13H2,2-6H3,(H,34,40)(H,32,35,36)
Affinity DataIC50: 1nMAssay Description:Reagents and Materials:WT EGFR (Carna, Cat. No. 08-115), EGFR [L858R] (Carna, Cat. No. 08-502), EGFR [L858R/T790M] (Carna, Cat. No. 08-510), ATP (Sig...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM517813(Preparation of N-(2-((2-(dimethylamino)ethyl)(meth...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cc(F)c2nc(CF)n(C(C)C)c2c1
Show InChI InChI=1S/C30H36F2N8O2/c1-8-28(41)34-22-15-23(26(42-7)16-24(22)39(6)12-11-38(4)5)36-30-33-10-9-21(35-30)19-13-20(32)29-25(14-19)40(18(2)3)27(17-31)37-29/h8-10,13-16,18H,1,11-12,17H2,2-7H3,(H,34,41)(H,33,35,36)
Affinity DataIC50: 1nMAssay Description:Reagents and Materials:WT EGFR (Carna, Cat. No. 08-115), EGFR [L858R] (Carna, Cat. No. 08-502), EGFR [L858R/T790M] (Carna, Cat. No. 08-510), ATP (Sig...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM414577(US10435400, Compound Z-123)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(n1)-c1cnc2n(C)cc(Cl)c2c1
Show InChI InChI=1S/C27H30ClFN8O2/c1-7-24(38)32-20-11-21(23(39-6)12-22(20)36(4)9-8-35(2)3)33-27-31-14-19(29)25(34-27)16-10-17-18(28)15-37(5)26(17)30-13-16/h7,10-15H,1,8-9H2,2-6H3,(H,32,38)(H,31,33,34)
Affinity DataIC50: 1nMAssay Description:The inhibitory effects of compounds to be tested on double mutant EGFR kinase (EGFR T790M/L858R Kinase) (Invitrogen, PV4879) and wild-type EGFR kinas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149402(US10434101, Compound I-2 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H25F3N6O3/c1-3-22(35)30-16-5-4-6-17(13-16)31-23-19(25(26,27)28)15-29-24(33-23)32-20-8-7-18(14-21(20)36-2)34-9-11-37-12-10-34/h3-8,13-15H,1,9-12H2,2H3,(H,30,35)(H2,29,31,32,33)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149403(US10434101, Compound I-3 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C26H27ClN6O5/c1-3-23(35)29-17-5-4-6-19(13-17)38-25-20(27)15-28-26(31-25)30-21-8-7-18(14-22(21)37-2)32-9-11-33(12-10-32)24(36)16-34/h3-8,13-15,34H,1,9-12,16H2,2H3,(H,29,35)(H,28,30,31)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149404(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149406(US10434101, Compound I-6 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C27H28F3N7O4/c1-3-23(39)32-17-5-4-6-18(13-17)33-25-20(27(28,29)30)15-31-26(35-25)34-21-8-7-19(14-22(21)41-2)36-9-11-37(12-10-36)24(40)16-38/h3-8,13-15,38H,1,9-12,16H2,2H3,(H,32,39)(H2,31,33,34,35)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149407(US10434101, Compound I-7 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCCN(CC1)C(C)=O
Show InChI InChI=1S/C28H30F3N7O3/c1-4-25(40)33-19-7-5-8-20(15-19)34-26-22(28(29,30)31)17-32-27(36-26)35-23-10-9-21(16-24(23)41-3)38-12-6-11-37(13-14-38)18(2)39/h4-5,7-10,15-17H,1,6,11-14H2,2-3H3,(H,33,40)(H2,32,34,35,36)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149409(US10434101, Compound I-9 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H27ClN6O4/c1-4-24(35)29-18-6-5-7-20(14-18)37-25-21(27)16-28-26(31-25)30-22-9-8-19(15-23(22)36-3)33-12-10-32(11-13-33)17(2)34/h4-9,14-16H,1,10-13H2,2-3H3,(H,29,35)(H,28,30,31)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149411(US10434101, Compound I-11 | US11096942, Compound I...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C27H27F3N6O5/c1-3-23(38)32-17-5-4-6-19(13-17)41-25-20(27(28,29)30)15-31-26(34-25)33-21-8-7-18(14-22(21)40-2)35-9-11-36(12-10-35)24(39)16-37/h3-8,13-15,37H,1,9-12,16H2,2H3,(H,32,38)(H,31,33,34)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149412(US10434101, Compound I-12 | US11096942, Compound I...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C26H28ClN7O4/c1-3-23(36)29-17-5-4-6-18(13-17)30-25-20(27)15-28-26(32-25)31-21-8-7-19(14-22(21)38-2)33-9-11-34(12-10-33)24(37)16-35/h3-8,13-15,35H,1,9-12,16H2,2H3,(H,29,36)(H2,28,30,31,32)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149413(US10434101, Compound I-13 | US11096942, Compound I...)
Show SMILES FC(F)Oc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H22F5N5O4/c1-2-21(36)32-15-4-3-5-17(12-15)38-22-18(25(28,29)30)14-31-24(34-22)33-19-7-6-16(13-20(19)39-23(26)27)35-8-10-37-11-9-35/h2-7,12-14,23H,1,8-11H2,(H,32,36)(H,31,33,34)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149414(US10434101, Compound I-14 | US11096942, Compound I...)
Show SMILES FC(F)Oc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H23F5N6O3/c1-2-21(37)32-15-4-3-5-16(12-15)33-22-18(25(28,29)30)14-31-24(35-22)34-19-7-6-17(13-20(19)39-23(26)27)36-8-10-38-11-9-36/h2-7,12-14,23H,1,8-11H2,(H,32,37)(H2,31,33,34,35)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149416(US10434101, Compound I-17 | US11096942, Compound I...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H28F3N7O4S/c1-4-23(37)31-17-6-5-7-18(14-17)32-24-20(26(27,28)29)16-30-25(34-24)33-21-9-8-19(15-22(21)40-2)35-10-12-36(13-11-35)41(3,38)39/h4-9,14-16H,1,10-13H2,2-3H3,(H,31,37)(H2,30,32,33,34)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM149420(US10434101, Compound I-21 | US11096942, Compound I...)
Show SMILES CNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C27H28F3N7O4/c1-4-23(38)33-17-6-5-7-19(14-17)41-24-20(27(28,29)30)16-32-25(35-24)34-21-9-8-18(15-22(21)40-3)36-10-12-37(13-11-36)26(39)31-2/h4-9,14-16H,1,10-13H2,2-3H3,(H,31,39)(H,33,38)(H,32,34,35)
Affinity DataIC50: 1nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
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