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Compile Data Set for Download or QSAR

Found 581 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor(L858R, T790M)'   
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(L858R, T790M)


(Homo sapiens (Human))
BDBM200809
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0760n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200810
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0840n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM199995
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0880n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM199967
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200795
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200793
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200336
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.210n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200548
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.210n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200800
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.25n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200218
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200501
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200584
PNG
(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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200488
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.420n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM199967
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.460n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200600
PNG
(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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.470n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200490
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.470n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200801
PNG
(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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.490n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM414541
PNG
(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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO. LTD.

US Patent


Assay 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...


US Patent US10435400 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200491
PNG
(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
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n/an/a 0.520n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200499
PNG
(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
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n/an/a 0.540n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM330401
PNG
((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
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n/an/a 0.600n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200478
PNG
(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
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n/an/a 0.650n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200477
PNG
(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
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BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM330399
PNG
(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)
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n/an/a 0.800n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM195875
PNG
(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)
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n/an/a 0.820n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay 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...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200807
PNG
(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
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n/an/a 0.820n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149411
PNG
(US10434101, Compound I-11 | US8975249, I-11)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202380
PNG
(US10081606, Compound I-12 | US9238629, I-12 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17ClN4O3/c1-3-18(26)23-13-7-6-8-14(11-13)28-19-15(21)12-22-20(25-19)24-16-9-4-5-10-17(16)27-2/h3-12H,1H2,2H3,(H,23,26)(H,22,24,25)
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n/an/a<1n/an/an/an/a7.5n/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US10081606 (2018)


Article DOI: 10.1021/ja0296733
BindingDB Entry DOI: 10.7270/Q2HH6N3X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149413
PNG
(US10434101, Compound I-13 | US8975249, I-13)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149414
PNG
(US10434101, Compound I-14 | US8975249, I-14)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149416
PNG
(US10434101, Compound I-17 | US8975249, I-17)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149420
PNG
(US10434101, Compound I-21 | US8975249, I-21)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149421
PNG
(US10434101, Compound I-22 | US8975249, I-22)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H27F3N6O5S/c1-4-23(36)31-17-6-5-7-19(14-17)40-24-20(26(27,28)29)16-30-25(33-24)32-21-9-8-18(15-22(21)39-2)34-10-12-35(13-11-34)41(3,37)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,31,36)(H,30,32,33)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149424
PNG
(US10434101, Compound I-26 | US8975249, I-26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H27ClN6O5S/c1-4-23(33)28-17-6-5-7-19(14-17)37-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)36-2)31-10-12-32(13-11-31)38(3,34)35/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149426
PNG
(US10434101, Compound I-28 | US8975249, I-28)
Show SMILES CNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C27H29F3N8O3/c1-4-23(39)33-17-6-5-7-18(14-17)34-24-20(27(28,29)30)16-32-25(36-24)35-21-9-8-19(15-22(21)41-3)37-10-12-38(13-11-37)26(40)31-2/h4-9,14-16H,1,10-13H2,2-3H3,(H,31,40)(H,33,39)(H2,32,34,35,36)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149427
PNG
(US10434101, Compound I-29 | US8975249, I-29)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C27H28F3N7O4/c1-4-23(38)32-17-6-5-7-18(14-17)33-24-20(27(28,29)30)16-31-25(35-24)34-21-9-8-19(15-22(21)40-2)36-10-12-37(13-11-36)26(39)41-3/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,38)(H2,31,33,34,35)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149428
PNG
(US10434101, Compound I-30 | US8975249, I-30)
Show SMILES OCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C27H25F6N7O4/c1-2-22(42)35-16-4-3-5-17(12-16)36-24-19(26(28,29)30)14-34-25(38-24)37-20-7-6-18(13-21(20)44-27(31,32)33)39-8-10-40(11-9-39)23(43)15-41/h2-7,12-14,41H,1,8-11,15H2,(H,35,42)(H2,34,36,37,38)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149429
PNG
(US10434101, Compound I-31 | US8975249, I-31)
Show SMILES OCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C27H26F5N7O4/c1-2-22(41)34-16-4-3-5-17(12-16)35-24-19(27(30,31)32)14-33-26(37-24)36-20-7-6-18(13-21(20)43-25(28)29)38-8-10-39(11-9-38)23(42)15-40/h2-7,12-14,25,40H,1,8-11,15H2,(H,34,41)(H2,33,35,36,37)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149430
PNG
(US10434101, Compound I-32 | US8975249, I-32)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C27H26F5N7O3/c1-3-23(41)34-17-5-4-6-18(13-17)35-24-20(27(30,31)32)15-33-26(37-24)36-21-8-7-19(14-22(21)42-25(28)29)39-11-9-38(10-12-39)16(2)40/h3-8,13-15,25H,1,9-12H2,2H3,(H,34,41)(H2,33,35,36,37)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149431
PNG
(US10434101, Compound I-33 | US8975249, I-33)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C27H25F6N7O3/c1-3-23(42)35-17-5-4-6-18(13-17)36-24-20(26(28,29)30)15-34-25(38-24)37-21-8-7-19(14-22(21)43-27(31,32)33)40-11-9-39(10-12-40)16(2)41/h3-8,13-15H,1,9-12H2,2H3,(H,35,42)(H2,34,36,37,38)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149432
PNG
(US10434101, Compound I-34 | US8975249, I-34)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(=O)C(C)(C)C
Show InChI InChI=1S/C30H34F3N7O3/c1-6-25(41)35-19-8-7-9-20(16-19)36-26-22(30(31,32)33)18-34-28(38-26)37-23-11-10-21(17-24(23)43-5)39-12-14-40(15-13-39)27(42)29(2,3)4/h6-11,16-18H,1,12-15H2,2-5H3,(H,35,41)(H2,34,36,37,38)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149433
PNG
(US10434101, Compound I-35 | US8975249, I-35)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C28H30F3N7O3/c1-4-24(39)33-18-7-6-8-19(15-18)34-26-21(28(29,30)31)17-32-27(36-26)35-22-10-9-20(16-23(22)41-3)37-11-13-38(14-12-37)25(40)5-2/h4,6-10,15-17H,1,5,11-14H2,2-3H3,(H,33,39)(H2,32,34,35,36)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149434
PNG
(US10434101, Compound I-36 | US8975249, I-36)
Show SMILES FC(F)Oc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCOCC1
Show InChI InChI=1S/C24H22ClF2N5O4/c1-2-21(33)29-15-4-3-5-17(12-15)35-22-18(25)14-28-24(31-22)30-19-7-6-16(13-20(19)36-23(26)27)32-8-10-34-11-9-32/h2-7,12-14,23H,1,8-11H2,(H,29,33)(H,28,30,31)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149436
PNG
(US10434101, Compound I-38 | US8975249, I-38)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCCOCC1
Show InChI InChI=1S/C26H27F3N6O3/c1-3-23(36)31-17-6-4-7-18(14-17)32-24-20(26(27,28)29)16-30-25(34-24)33-21-9-8-19(15-22(21)37-2)35-10-5-12-38-13-11-35/h3-4,6-9,14-16H,1,5,10-13H2,2H3,(H,31,36)(H2,30,32,33,34)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149444
PNG
(US10434101, Compound I-46 | US8975249, I-46)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H33ClN6O5/c1-6-25(37)32-19-8-7-9-21(16-19)40-26-22(30)18-31-27(34-26)33-23-11-10-20(17-24(23)39-5)35-12-14-36(15-13-35)28(38)41-29(2,3)4/h6-11,16-18H,1,12-15H2,2-5H3,(H,32,37)(H,31,33,34)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149446
PNG
(US10434101, Compound I-48 | US8975249, I-48)
Show SMILES COC(=O)[C@@H]1CN(CCN1C(C)=O)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C29H30F3N7O5/c1-5-25(41)34-18-7-6-8-19(13-18)35-26-21(29(30,31)32)15-33-28(37-26)36-22-10-9-20(14-24(22)43-3)38-11-12-39(17(2)40)23(16-38)27(42)44-4/h5-10,13-15,23H,1,11-12,16H2,2-4H3,(H,34,41)(H2,33,35,36,37)/t23-/m0/s1
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149447
PNG
(US10434101, Compound I-49 | US8975249, I-49)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H25F3N6O4S/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)38-2)34-9-11-39(36,37)12-10-34/h3-8,13-15H,1,9-12H2,2H3,(H,30,35)(H2,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM414525
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnc2n(C)ccc2c1
Show InChI InChI=1S/C27H32N8O2/c1-7-25(36)30-21-15-22(24(37-6)16-23(21)34(4)13-12-33(2)3)32-27-28-10-8-20(31-27)19-14-18-9-11-35(5)26(18)29-17-19/h7-11,14-17H,1,12-13H2,2-6H3,(H,30,36)(H,28,31,32)
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n/an/a 1n/an/an/an/an/an/a



SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO. LTD.

US Patent


Assay 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...


US Patent US10435400 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM414577
PNG
(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)
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n/an/a 1n/an/an/an/an/an/a



SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO. LTD.

US Patent


Assay 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...


US Patent US10435400 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM149402
PNG
(US10434101, Compound I-2 | US8975249, I-2)
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)
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Celgene CAR LLC

US Patent


Assay 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...


US Patent US10434101 (2019)

More data for this
Ligand-Target Pair
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