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Compile Data Set for Download or QSAR

Found 417 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor (T790M/L858R)' AND taxid = 9606   
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))
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
PDB
MMDB

KEGG

B.MOAD
DrugBank
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PC cid
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UniChem
US Patent
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.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL 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)

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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n/an/a 0.760n/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))
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.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL 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)

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)


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))
BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 1n/an/an/an/an/an/a



CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University

US Patent


Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...


US Patent US9096601 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0SNG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM173428
PNG
(US9096601, 8-2)
Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3)C(=O)NN3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29ClFN9O/c1-16(2)37-23-22(32-26(37)31-19-8-9-21(28)20(27)14-19)15-29-25(33-23)30-18-6-4-17(5-7-18)24(38)34-36-12-10-35(3)11-13-36/h4-9,14-16H,10-13H2,1-3H3,(H,31,32)(H,34,38)(H,29,30,33)
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CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University

US Patent


Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ...


US Patent US9096601 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0SNG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(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/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202379
PNG
(US10081606, Compound I-11 | US9238629, I-11 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)
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n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202378
PNG
(US10081606, Compound I-10 | US9238629, I-10 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)
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n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
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n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202373
PNG
(US10081606, Compound I-5 | US9238629, I-5 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
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n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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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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)

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


(Homo sapiens (Human))
BDBM202373
PNG
(US10081606, Compound I-5 | US9238629, I-5 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
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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)

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


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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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)

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


(Homo sapiens (Human))
BDBM202379
PNG
(US10081606, Compound I-11 | US9238629, I-11 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)
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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)

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


(Homo sapiens (Human))
BDBM202378
PNG
(US10081606, Compound I-10 | US9238629, I-10 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)
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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)

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


(Homo sapiens (Human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
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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)

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/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202379
PNG
(US10081606, Compound I-11 | US9238629, I-11 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)
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n/an/a<1n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202378
PNG
(US10081606, Compound I-10 | US9238629, I-10 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)
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n/an/a<1n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
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n/an/a<1n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202373
PNG
(US10081606, Compound I-5 | US9238629, I-5 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
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n/an/a<1n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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n/an/a<1n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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n/an/a 1.02n/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)


BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM330409
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-ethynylphenyl)-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H21N5O2/c1-4-15-7-6-8-16(9-15)27-23-18-10-20(21(30-3)11-19(18)24-14-25-23)26-17-12-28(13-17)22(29)5-2/h1,5-11,14,17,26H,2,12-13H2,3H3,(H,24,25,27)
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n/an/a 1.10n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL 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)

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


(Homo sapiens (Human))
BDBM200487
PNG
(US9670231, 1.19)
Show SMILES CCN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32BrN5O4/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 1.10n/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))
BDBM195887
PNG
(US9670213, Compound 032 N-(3-(2-(2-methoxy-4-(4-me...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32)
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n/an/a 1.17n/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)


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


(Homo sapiens (Human))
BDBM330414
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-22(31)30-11-15(12-30)28-20-9-16-19(10-21(20)33-7-6-32-2)26-13-27-23(16)29-14-4-5-18(25)17(24)8-14/h3-5,8-10,13,15,28H,1,6-7,11-12H2,2H3,(H,26,27,29)
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n/an/a 1.20n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL 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)

More data for this
Ligand-Target Pair
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