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Patent code WO2022090481

Compile Data Set for Download or QSAR

Found 337 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [1-18,20-1210]


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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WIPO WO2022090481
n/an/a 0.0100n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210]


(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
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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WIPO WO2022090481
n/an/a 0.0200n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [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
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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WIPO WO2022090481
n/an/a 0.0200n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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WIPO WO2022090481
n/an/a 0.0300n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210]


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
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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WIPO WO2022090481
n/an/a 0.5n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547815
PNG
(WO2022090481, Example I-030)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1CCOCC1)[C@@H]1CN(C)CC(F)(F)C1
Show InChI InChI=1S/C30H33F2N9O2/c1-18-20-15-34-41(23(20)11-22(35-18)21-14-33-6-5-25(21)42-4)26-12-24-27(29(36-26)40-7-9-43-10-8-40)37-28(39(24)3)19-13-30(31,32)17-38(2)16-19/h5-6,11-12,14-15,19H,7-10,13,16-17H2,1-4H3/t19-/m0/s1
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WIPO WO2022090481
n/an/a 0.5n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
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
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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WIPO WO2022090481
n/an/a 0.600n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547877
PNG
(WO2022090481, Example I-096)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(CC3)C3COC3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C33H38N8O3/c1-19(2)31-30-20(3)32(33(42)40-11-9-39(10-12-40)22-17-44-18-22)38(5)27(30)14-29(37-31)41-26-13-25(36-21(4)23(26)16-35-41)24-15-34-8-7-28(24)43-6/h7-8,13-16,19,22H,9-12,17-18H2,1-6H3
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WIPO WO2022090481
n/an/a 0.600n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547876
PNG
(WO2022090481, Example I-095)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CC[C@@H](O)C3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C30H33N7O3/c1-16(2)28-27-17(3)29(30(39)36-10-8-19(38)15-36)35(5)24(27)12-26(34-28)37-23-11-22(33-18(4)20(23)14-32-37)21-13-31-9-7-25(21)40-6/h7,9,11-14,16,19,38H,8,10,15H2,1-6H3/t19-/m1/s1
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WIPO WO2022090481
n/an/a 0.600n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

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


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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WIPO WO2022090481
n/an/a 0.640n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547878
PNG
(WO2022090481, Example I-097)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CC[C@H](O)C3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C30H33N7O3/c1-16(2)28-27-17(3)29(30(39)36-10-8-19(38)15-36)35(5)24(27)12-26(34-28)37-23-11-22(33-18(4)20(23)14-32-37)21-13-31-9-7-25(21)40-6/h7,9,11-14,16,19,38H,8,10,15H2,1-6H3/t19-/m0/s1
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WIPO WO2022090481
n/an/a 0.700n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547879
PNG
(WO2022090481, Example I-098)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCS(=O)CC3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C30H33N7O3S/c1-17(2)28-27-18(3)29(30(38)36-9-11-41(39)12-10-36)35(5)24(27)14-26(34-28)37-23-13-22(33-19(4)20(23)16-32-37)21-15-31-8-7-25(21)40-6/h7-8,13-17H,9-12H2,1-6H3
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WIPO WO2022090481
n/an/a 0.900n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547814
PNG
(WO2022090481, Example I-029)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCNCC1
Show InChI InChI=1S/C29H32N10O2/c1-17-20-14-32-39(23(20)11-22(33-17)21-13-31-5-4-25(21)40-3)26-12-24-27(28(34-26)38-15-19-10-18(38)16-41-19)35-29(36(24)2)37-8-6-30-7-9-37/h4-5,11-14,18-19,30H,6-10,15-16H2,1-3H3/t18-,19-/m1/s1
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WIPO WO2022090481
n/an/a 0.900n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547807
PNG
(WO2022090481, Example I-022 | WO2022090481, Exampl...)
Show SMILES COCCN1CCN(CC1)c1nc2c(nc(cc2n1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1C[C@H]2C[C@@H]1CO2
Show InChI InChI=1S/C32H38N10O3/c1-20-23-17-34-42(26(23)14-25(35-20)24-16-33-6-5-28(24)44-4)29-15-27-30(31(36-29)41-18-22-13-21(41)19-45-22)37-32(38(27)2)40-9-7-39(8-10-40)11-12-43-3/h5-6,14-17,21-22H,7-13,18-19H2,1-4H3/t21-,22-/m1/s1
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WIPO WO2022090481
n/an/a 1n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547880
PNG
(WO2022090481, Example I-099)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(CC3)C(C)=O)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C32H36N8O3/c1-18(2)30-29-19(3)31(32(42)39-12-10-38(11-13-39)21(5)41)37(6)26(29)15-28(36-30)40-25-14-24(35-20(4)22(25)17-34-40)23-16-33-9-8-27(23)43-7/h8-9,14-18H,10-13H2,1-7H3
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WIPO WO2022090481
n/an/a 1n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,C797S]


(Homo sapiens (Human))
BDBM547941
PNG
(WO2022090481, Example I-162)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN2CCC[C@@H]2C1
Show InChI InChI=1S/C32H36N10O2/c1-19-23-15-34-42(26(23)12-25(35-19)24-14-33-7-6-28(24)43-3)29-13-27-30(31(36-29)41-17-22-11-21(41)18-44-22)37-32(38(27)2)40-10-9-39-8-4-5-20(39)16-40/h6-7,12-15,20-22H,4-5,8-11,16-18H2,1-3H3/t20-,21-,22-/m1/s1
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547881
PNG
(WO2022090481, Example I-100)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)C1CCOCC1
Show InChI InChI=1S/C32H35N7O3/c1-19-29-26(37(3)31(19)32(40)38-11-5-6-12-38)16-28(36-30(29)21-8-13-42-14-9-21)39-25-15-24(35-20(2)22(25)18-34-39)23-17-33-10-7-27(23)41-4/h7,10,15-18,21H,5-6,8-9,11-14H2,1-4H3
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547862
PNG
(WO2022090481, Example I-080)
Show SMILES CNC(=O)c1c(C)c2c(nc(cn2c1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1CCOCC1
Show InChI InChI=1S/C28H30N8O3/c1-16-25(28(37)29-4)18(3)35-15-24(33-27(26(16)35)34-8-10-39-11-9-34)36-22-12-21(32-17(2)19(22)14-31-36)20-13-30-7-6-23(20)38-5/h6-7,12-15H,8-11H2,1-5H3,(H,29,37)
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210]


(Homo sapiens (Human))
BDBM547941
PNG
(WO2022090481, Example I-162)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN2CCC[C@@H]2C1
Show InChI InChI=1S/C32H36N10O2/c1-19-23-15-34-42(26(23)12-25(35-19)24-14-33-7-6-28(24)43-3)29-13-27-30(31(36-29)41-17-22-11-21(41)18-44-22)37-32(38(27)2)40-10-9-39-8-4-5-20(39)16-40/h6-7,12-15,20-22H,4-5,8-11,16-18H2,1-3H3/t20-,21-,22-/m1/s1
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547863
PNG
(WO2022090481, Example I-081)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cn2c(C)c(C(=O)N3CCN(C)CC3)c(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C32H37N9O3/c1-20-29(32(42)39-10-8-37(4)9-11-39)22(3)40-19-28(36-31(30(20)40)38-12-14-44-15-13-38)41-26-16-25(35-21(2)23(26)18-34-41)24-17-33-7-6-27(24)43-5/h6-7,16-19H,8-15H2,1-5H3
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210]


(Homo sapiens (Human))
BDBM50160870
PNG
(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547882
PNG
(WO2022090481, Example I-101)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCNCC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C30H34N8O2/c1-6-7-22-28-18(2)29(30(39)37-12-10-31-11-13-37)36(4)25(28)15-27(35-22)38-24-14-23(34-19(3)20(24)17-33-38)21-16-32-9-8-26(21)40-5/h8-9,14-17,31H,6-7,10-13H2,1-5H3
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547883
PNG
(WO2022090481, Example I-102)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCOCC3)c(C)c2c(n1)C1CC1
Show InChI InChI=1S/C30H31N7O3/c1-17-27-24(35(3)29(17)30(38)36-9-11-40-12-10-36)14-26(34-28(27)19-5-6-19)37-23-13-22(33-18(2)20(23)16-32-37)21-15-31-8-7-25(21)39-4/h7-8,13-16,19H,5-6,9-12H2,1-4H3
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547838
PNG
(WO2022090481, Example I-053)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)cnc2c(n1)C(C)C
Show InChI InChI=1S/C23H23N7O/c1-13(2)22-23-19(29(4)12-25-23)9-21(28-22)30-18-8-17(27-14(3)15(18)11-26-30)16-10-24-7-6-20(16)31-5/h6-13H,1-5H3
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
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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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547810
PNG
(WO2022090481, Example I-025)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H36N10O3/c1-19-22-16-33-41(25(22)13-24(34-19)23-15-32-5-4-27(23)43-3)28-14-26-29(30(35-28)40-17-21-12-20(40)18-44-21)36-31(37(26)2)39-8-6-38(7-9-39)10-11-42/h4-5,13-16,20-21,42H,6-12,17-18H2,1-3H3/t20-,21-/m1/s1
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WIPO WO2022090481
n/an/a 1.10n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547885
PNG
(WO2022090481, Example I-104)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C31H36N8O2/c1-18(2)29-28-19(3)30(31(40)38-12-10-36(5)11-13-38)37(6)25(28)15-27(35-29)39-24-14-23(34-20(4)21(24)17-33-39)22-16-32-9-8-26(22)41-7/h8-9,14-18H,10-13H2,1-7H3
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WIPO WO2022090481
n/an/a 1.20n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547865
PNG
(WO2022090481, Example I-084)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C31H34N8O3/c1-19-28-25(36(3)29(19)31(40)38-9-5-6-10-38)16-27(35-30(28)37-11-13-42-14-12-37)39-24-15-23(34-20(2)21(24)18-33-39)22-17-32-8-7-26(22)41-4/h7-8,15-18H,5-6,9-14H2,1-4H3
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WIPO WO2022090481
n/an/a 1.20n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547816
PNG
(WO2022090481, Example I-031)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C)nc2c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C26H28N8O2/c1-15-14-36-9-8-33(15)26-25-22(32(4)17(3)30-25)11-24(31-26)34-21-10-20(29-16(2)18(21)13-28-34)19-12-27-7-6-23(19)35-5/h6-7,10-13,15H,8-9,14H2,1-5H3/t15-/m0/s1
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WIPO WO2022090481
n/an/a 1.20n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547884
PNG
(WO2022090481, Example I-103)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCOCC3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C30H33N7O3/c1-17(2)28-27-18(3)29(30(38)36-9-11-40-12-10-36)35(5)24(27)14-26(34-28)37-23-13-22(33-19(4)20(23)16-32-37)21-15-31-8-7-25(21)39-6/h7-8,13-17H,9-12H2,1-6H3
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WIPO WO2022090481
n/an/a 1.20n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547886
PNG
(WO2022090481, Example I-105)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCNCC3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C30H34N8O2/c1-17(2)28-27-18(3)29(30(39)37-11-9-31-10-12-37)36(5)24(27)14-26(35-28)38-23-13-22(34-19(4)20(23)16-33-38)21-15-32-8-7-25(21)40-6/h7-8,13-17,31H,9-12H2,1-6H3
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WIPO WO2022090481
n/an/a 1.30n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547867
PNG
(WO2022090481, Example I-086)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N(C)C)c(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C29H32N8O3/c1-17-26-23(35(5)27(17)29(38)34(3)4)14-25(33-28(26)36-9-11-40-12-10-36)37-22-13-21(32-18(2)19(22)16-31-37)20-15-30-8-7-24(20)39-6/h7-8,13-16H,9-12H2,1-6H3
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WIPO WO2022090481
n/an/a 1.30n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547866
PNG
(WO2022090481, Example I-085)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCC3)c(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C30H32N8O3/c1-18-27-24(35(3)28(18)30(39)37-8-5-9-37)15-26(34-29(27)36-10-12-41-13-11-36)38-23-14-22(33-19(2)20(23)17-32-38)21-16-31-7-6-25(21)40-4/h6-7,14-17H,5,8-13H2,1-4H3
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WIPO WO2022090481
n/an/a 1.30n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547789
PNG
(WO2022090481, Example I-004)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2sc(nc2c(n1)N1CCOCC1)N1C[C@H]2C[C@@H]1CN2C
Show InChI InChI=1S/C29H31N9O2S/c1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2/h4-5,11-14,18-19H,6-10,15-16H2,1-3H3/t18-,19-/m1/s1
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WIPO WO2022090481
n/an/a 1.40n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547839
PNG
(WO2022090481, Example I-054)
Show SMILES CCCc1nc(cc2n(C)c(nc12)C1CCN(C)CC1)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C29H34N8O/c1-6-7-22-28-25(36(4)29(34-28)19-9-12-35(3)13-10-19)15-27(33-22)37-24-14-23(32-18(2)20(24)17-31-37)21-16-30-11-8-26(21)38-5/h8,11,14-17,19H,6-7,9-10,12-13H2,1-5H3
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n/an/a 1.40n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547887
PNG
(WO2022090481, Example I-106)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)C1CCOC1
Show InChI InChI=1S/C31H33N7O3/c1-18-28-25(36(3)30(18)31(39)37-10-5-6-11-37)14-27(35-29(28)20-8-12-41-17-20)38-24-13-23(34-19(2)21(24)16-33-38)22-15-32-9-7-26(22)40-4/h7,9,13-16,20H,5-6,8,10-12,17H2,1-4H3
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WIPO WO2022090481
n/an/a 1.40n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547788
PNG
(WO2022090481, Example I-001)
Show SMILES COCCN1CCN(CC1)c1nc2c(nc(cc2s1)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1C[C@H]2C[C@@H]1CO2
Show InChI InChI=1S/C31H35N9O3S/c1-19-22-16-33-40(25(22)13-24(34-19)23-15-32-5-4-26(23)42-3)28-14-27-29(30(35-28)39-17-21-12-20(39)18-43-21)36-31(44-27)38-8-6-37(7-9-38)10-11-41-2/h4-5,13-16,20-21H,6-12,17-18H2,1-3H3/t20-,21-/m1/s1
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WIPO WO2022090481
n/an/a 1.40n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547908
PNG
(WO2022090481, Example I-128)
Show SMILES CCCc1nc(cc2c(C)c(C(=O)N3CCN(C)CC3)n(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C31H36N8O2/c1-7-8-24-30-21(19(2)29(37(30)5)31(40)38-13-11-36(4)12-14-38)15-28(35-24)39-26-16-25(34-20(3)22(26)18-33-39)23-17-32-10-9-27(23)41-6/h9-10,15-18H,7-8,11-14H2,1-6H3
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WIPO WO2022090481
n/an/a 1.40n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547800
PNG
(WO2022090481, Example I-015)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)C1CC1)N1C[C@H]2C[C@@H]1CN2C
Show InChI InChI=1S/C29H31N9O/c1-16-20-13-31-38(23(20)10-22(32-16)21-12-30-8-7-25(21)39-4)26-11-24-28(27(33-26)17-5-6-17)34-29(36(24)3)37-15-18-9-19(37)14-35(18)2/h7-8,10-13,17-19H,5-6,9,14-15H2,1-4H3/t18-,19-/m1/s1
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WIPO WO2022090481
n/an/a 1.5n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547801
PNG
(WO2022090481, Example I-016)
Show SMILES COCCN1CCN(CC1)c1nc2c(nc(cc2n1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)C(C)C
Show InChI InChI=1S/C30H37N9O2/c1-19(2)28-29-25(36(4)30(35-29)38-11-9-37(10-12-38)13-14-40-5)16-27(34-28)39-24-15-23(33-20(3)21(24)18-32-39)22-17-31-8-7-26(22)41-6/h7-8,15-19H,9-14H2,1-6H3
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WIPO WO2022090481
n/an/a 1.5n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547914
PNG
(WO2022090481, Example I-135)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)nc(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H26N8O2/c1-15-17-14-27-33(20(17)11-19(28-15)18-13-26-6-5-22(18)34-4)23-12-21-24(16(2)30-31(21)3)25(29-23)32-7-9-35-10-8-32/h5-6,11-14H,7-10H2,1-4H3
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WIPO WO2022090481
n/an/a 1.5n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547920
PNG
(WO2022090481, Example I-141)
Show SMILES CCc1nc(cc2n(C)c(=O)n(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C23H23N7O2/c1-6-16-22-19(28(3)23(31)29(22)4)10-21(27-16)30-18-9-17(26-13(2)14(18)12-25-30)15-11-24-8-7-20(15)32-5/h7-12H,6H2,1-5H3
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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547790
PNG
(WO2022090481, Example I-005)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2sc(nc2c(n1)N1CCOCC1)N1C[C@@H]2C[C@H]1CN2C
Show InChI InChI=1S/C29H31N9O2S/c1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2/h4-5,11-14,18-19H,6-10,15-16H2,1-3H3/t18-,19-/m0/s1
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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C31H36N8O2/c1-7-8-23-29-19(2)30(31(40)38-13-11-36(4)12-14-38)37(5)26(29)16-28(35-23)39-25-15-24(34-20(3)21(25)18-33-39)22-17-32-10-9-27(22)41-6/h9-10,15-18H,7-8,11-14H2,1-6H3
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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,C797S]


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547868
PNG
(WO2022090481, Example I-087)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N(C)CCO)c(C)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C30H34N8O4/c1-18-27-24(36(4)28(18)30(40)35(3)8-11-39)15-26(34-29(27)37-9-12-42-13-10-37)38-23-14-22(33-19(2)20(23)17-32-38)21-16-31-7-6-25(21)41-5/h6-7,14-17,39H,8-13H2,1-5H3
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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M]


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
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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WIPO WO2022090481
n/an/a 1.60n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547889
PNG
(WO2022090481, Example I-108)
Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3C[C@H](C)N[C@H](C)C3)c(C)c2c(n1)C(C)C
Show InChI InChI=1S/C32H38N8O2/c1-17(2)30-29-20(5)31(32(41)39-15-18(3)35-19(4)16-39)38(7)26(29)12-28(37-30)40-25-11-24(36-21(6)22(25)14-34-40)23-13-33-10-9-27(23)42-8/h9-14,17-19,35H,15-16H2,1-8H3/t18-,19+
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WIPO WO2022090481
n/an/a 1.70n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210]


(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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WIPO WO2022090481
n/an/a 1.80n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547840
PNG
(WO2022090481, Example I-056)
Show SMILES CCCc1nc(cc2n(C)c(CC)nc12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
Show InChI InChI=1S/C25H27N7O/c1-6-8-18-25-21(31(4)23(7-2)30-25)12-24(29-18)32-20-11-19(28-15(3)16(20)14-27-32)17-13-26-10-9-22(17)33-5/h9-14H,6-8H2,1-5H3
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WIPO WO2022090481
n/an/a 1.80n/an/an/an/an/an/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO


Assay Description
Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 C in 5 % CO2 atmosphere. ...


WIPO WO2022090481 (2022)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%