BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor(L858R, T790M)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM202380
PNG
(US9238629, I-12)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202379
PNG
(US9238629, I-11)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202373
PNG
(US9238629, I-5)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

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


(Homo sapiens)
BDBM202371
PNG
(US9238629, I-3)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202378
PNG
(US9238629, I-10)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202376
PNG
(US9238629, I-8)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<1n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

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


(Homo sapiens)
BDBM173438
PNG
(US9096601, 8-12)
Show SMILES CC(C)n1c(Nc2cccc(c2)C#C)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C27H30N8/c1-5-20-7-6-8-22(17-20)30-27-31-24-18-28-26(32-25(24)35(27)19(2)3)29-21-9-11-23(12-10-21)34-15-13-33(4)14-16-34/h1,6-12,17-19H,13-16H2,2-4H3,(H,30,31)(H,28,29,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/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)

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


(Homo sapiens)
BDBM173445
PNG
(US9096601, 8-19)
Show SMILES CC(C)n1c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C32H34ClFN8O/c1-21(2)42-30-28(19-35-31(39-30)36-24-7-10-26(11-8-24)41-15-13-40(3)14-16-41)38-32(42)37-25-9-12-29(27(33)18-25)43-20-22-5-4-6-23(34)17-22/h4-12,17-19,21H,13-16,20H2,1-3H3,(H,37,38)(H,35,36,39)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 4n/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)

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


(Homo sapiens)
BDBM173443
PNG
(US9096601, 8-17)
Show SMILES COc1cccc(Nc2nc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc3n2C(C)C)c1
Show InChI InChI=1S/C26H32N8O/c1-18(2)34-24-23(30-26(34)29-20-6-5-7-22(16-20)35-4)17-27-25(31-24)28-19-8-10-21(11-9-19)33-14-12-32(3)13-15-33/h5-11,16-18H,12-15H2,1-4H3,(H,29,30)(H,27,28,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/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)

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


(Homo sapiens)
BDBM173437
PNG
(US9096601, 8-11)
Show SMILES CC(C)n1c(Nc2cccc(Br)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C25H29BrN8/c1-17(2)34-23-22(30-25(34)29-20-6-4-5-18(26)15-20)16-27-24(31-23)28-19-7-9-21(10-8-19)33-13-11-32(3)12-14-33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)(H,27,28,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 5n/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)

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


(Homo sapiens)
BDBM173447
PNG
(US9096601, 8-21)
Show SMILES CC(C)n1c(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C32H34ClFN10O/c1-20(2)44-29-28(19-35-30(41-29)36-21-8-11-25(12-9-21)43-16-14-42(3)15-17-43)40-31(44)37-22-4-6-23(7-5-22)38-32(45)39-24-10-13-27(34)26(33)18-24/h4-13,18-20H,14-17H2,1-3H3,(H,37,40)(H,35,36,41)(H2,38,39,45)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 5n/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)

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


(Homo sapiens)
BDBM202390
PNG
(US9238629, I-22)
Show SMILES COc1ccccc1Nc1ncc(Br)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18BrN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202369
PNG
(US9238629, I-1)
Show SMILES COc1ccccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2/c1-3-18(30)26-13-7-6-8-14(11-13)27-19-15(21(22,23)24)12-25-20(29-19)28-16-9-4-5-10-17(16)31-2/h3-12H,1H2,2H3,(H,26,30)(H2,25,27,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202381
PNG
(US9238629, I-13)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19BrN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202377
PNG
(US9238629, I-9)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202388
PNG
(US9238629, I-20)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20BrN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202389
PNG
(US9238629, I-21)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202375
PNG
(US9238629, I-7)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21ClN4O5/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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202370
PNG
(US9238629, I-2)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202372
PNG
(US9238629, I-4)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22ClN5O4/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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202384
PNG
(US9238629, I-16)
Show SMILES COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H20F3N5O3/c1-4-18(31)27-13-7-5-8-14(11-13)28-20-15(22(23,24)25)12-26-21(30-20)29-16-9-6-10-17(32-2)19(16)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202383
PNG
(US9238629, I-15)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19ClN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202374
PNG
(US9238629, I-14 | US9238629, I-6)
Show SMILES COc1cccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19BrN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 5.5n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM173431
PNG
(US9096601, 8-5)
Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H28ClF2N9O/c1-15(2)38-23-22(33-26(38)31-17-5-6-19(28)18(27)13-17)14-30-25(34-23)32-21-7-4-16(12-20(21)29)24(39)35-37-10-8-36(3)9-11-37/h4-7,12-15H,8-11H2,1-3H3,(H,31,33)(H,35,39)(H,30,32,34)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 6n/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)

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


(Homo sapiens)
BDBM173435
PNG
(US9096601, 8-9)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)nc12
Show InChI InChI=1S/C27H32N8O/c1-18(2)35-24-23(32-27(35)31-20-7-5-4-6-8-20)17-28-26(33-24)30-21-11-9-19(10-12-21)25(36)29-22-13-15-34(3)16-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,29,36)(H,31,32)(H,28,30,33)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 6n/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)

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


(Homo sapiens)
BDBM235633
PNG
(US9388170, 20)
Show SMILES CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1/C28H31N5O3/c1-4-20-9-7-10-21(15-20)31-28-23-16-25(32-27(34)11-8-13-33(5-2)6-3)26(17-24(23)29-19-30-28)36-22-12-14-35-18-22/h1,7-11,15-17,19,22H,5-6,12-14,18H2,2-3H3,(H,32,34)(H,29,30,31)/b11-8+/t22-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
AffyNet 
US Patent
n/an/a 6.80n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BT474 Cell Line: 1. 5103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 10...


US Patent US9388170 (2016)

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


(Homo sapiens)
BDBM173439
PNG
(US9096601, 8-13)
Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C25H28ClFN8/c1-16(2)35-23-22(31-25(35)30-18-6-9-21(27)20(26)14-18)15-28-24(32-23)29-17-4-7-19(8-5-17)34-12-10-33(3)11-13-34/h4-9,14-16H,10-13H2,1-3H3,(H,30,31)(H,28,29,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 9n/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)

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


(Homo sapiens)
BDBM173442
PNG
(US9096601, 8-16)
Show SMILES CC(C)n1c(Nc2cccc(c2)C(F)(F)F)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29F3N8/c1-17(2)37-23-22(33-25(37)32-20-6-4-5-18(15-20)26(27,28)29)16-30-24(34-23)31-19-7-9-21(10-8-19)36-13-11-35(3)12-14-36/h4-10,15-17H,11-14H2,1-3H3,(H,32,33)(H,30,31,34)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 12n/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)

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


(Homo sapiens)
BDBM173441
PNG
(US9096601, 8-15)
Show SMILES CC(C)n1c(Nc2ccc(Br)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C25H29BrN8/c1-17(2)34-23-22(30-25(34)29-20-6-4-18(26)5-7-20)16-27-24(31-23)28-19-8-10-21(11-9-19)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,29,30)(H,27,28,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 15n/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)

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


(Homo sapiens)
BDBM173430
PNG
(US9096601, 8-4 | US9096601, 8-6)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30FN9O/c1-17(2)36-23-22(31-26(36)29-19-7-5-4-6-8-19)16-28-25(32-23)30-21-10-9-18(15-20(21)27)24(37)33-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14H2,1-3H3,(H,29,31)(H,33,37)(H,28,30,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 18n/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)

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


(Homo sapiens)
BDBM202386
PNG
(US9238629, I-18)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18ClN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 20n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202374
PNG
(US9238629, I-14 | US9238629, I-6)
Show SMILES COc1cccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19BrN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 20n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202387
PNG
(US9238629, I-19)
Show SMILES COc1ccccc1Nc1ncc(F)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17FN4O3/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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 20n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM202391
PNG
(US9238629, I-23)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 20n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM173463
PNG
(US9096601, 8-38)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3cccc(NC(=O)C=C)c3)nc12
Show InChI InChI=1S/C23H23N7O/c1-4-20(31)25-17-11-8-12-18(13-17)26-22-24-14-19-21(29-22)30(15(2)3)23(28-19)27-16-9-6-5-7-10-16/h4-15H,1H2,2-3H3,(H,25,31)(H,27,28)(H,24,26,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 37n/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)

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


(Homo sapiens)
BDBM173449
PNG
(US9096601, 8-23)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CC4)c3n2)cc1
Show InChI InChI=1S/C25H28N8/c1-31-13-15-32(16-14-31)20-9-7-19(8-10-20)27-24-26-17-22-23(30-24)33(21-11-12-21)25(29-22)28-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3,(H,28,29)(H,26,27,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 41n/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)

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


(Homo sapiens)
BDBM173436
PNG
(US9096601, 8-10)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C25H30N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15-13-31(3)14-16-32/h4-12,17-18H,13-16H2,1-3H3,(H,28,29)(H,26,27,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 46n/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)

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


(Homo sapiens)
BDBM173430
PNG
(US9096601, 8-4 | US9096601, 8-6)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30FN9O/c1-17(2)36-23-22(31-26(36)29-19-7-5-4-6-8-19)16-28-25(32-23)30-21-10-9-18(15-20(21)27)24(37)33-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14H2,1-3H3,(H,29,31)(H,33,37)(H,28,30,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 46n/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)

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


(Homo sapiens)
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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
US Patent
n/an/a 47n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BT474 Cell Line: 1. 5103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 10...


US Patent US9388170 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM173452
PNG
(US9096601, 8-27)
Show SMILES CC(C)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29F3N8/c1-17(2)37-23-22(33-25(37)32-20-6-4-18(5-7-20)26(27,28)29)16-30-24(34-23)31-19-8-10-21(11-9-19)36-14-12-35(3)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H,32,33)(H,30,31,34)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 54n/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)

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


(Homo sapiens)
BDBM202385
PNG
(US9238629, I-17)
Show SMILES COc1cccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H20ClN5O3/c1-4-18(28)24-13-7-5-8-14(11-13)25-20-15(22)12-23-21(27-20)26-16-9-6-10-17(29-2)19(16)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 55n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM50123190
PNG
(CHEMBL3622645 | US9388170, 13)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1/C26H27N5O3/c1-4-18-7-5-8-19(13-18)29-26-21-14-23(30-25(32)9-6-11-31(2)3)24(15-22(21)27-17-28-26)34-20-10-12-33-16-20/h1,5-9,13-15,17,20H,10-12,16H2,2-3H3,(H,30,32)(H,27,28,29)/b9-6+/t20-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 57n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BT474 Cell Line: 1. 5103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 10...


US Patent US9388170 (2016)

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


(Homo sapiens)
BDBM173444
PNG
(US9096601, 8-18)
Show SMILES COc1ccc(Nc2nc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc3n2C(C)C)cc1
Show InChI InChI=1S/C26H32N8O/c1-18(2)34-24-23(30-26(34)29-20-7-11-22(35-4)12-8-20)17-27-25(31-24)28-19-5-9-21(10-6-19)33-15-13-32(3)14-16-33/h5-12,17-18H,13-16H2,1-4H3,(H,29,30)(H,27,28,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 57n/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)

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


(Homo sapiens)
BDBM173454
PNG
(US9096601, 8-29)
Show SMILES CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 64n/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)

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


(Homo sapiens)
BDBM173448
PNG
(US9096601, 8-22)
Show SMILES CC(C)n1c(Nc2ccc(cc2)C(=O)Nc2cccc(F)c2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C32H34FN9O/c1-21(2)42-29-28(20-34-31(39-29)36-24-11-13-27(14-12-24)41-17-15-40(3)16-18-41)38-32(42)37-25-9-7-22(8-10-25)30(43)35-26-6-4-5-23(33)19-26/h4-14,19-21H,15-18H2,1-3H3,(H,35,43)(H,37,38)(H,34,36,39)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 87n/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)

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


(Homo sapiens)
BDBM173427
PNG
(US9096601, 8-1)
Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)C(=O)N[N]3=CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N9O/c1-18(2)35-23-22(30-26(35)29-20-7-5-4-6-8-20)17-27-25(31-23)28-21-11-9-19(10-12-21)24(36)32-34-15-13-33(3)14-16-34/h4-12,15,17-18H,13-14,16H2,1-3H3,(H,29,30)(H,32,36)(H,27,28,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 90n/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)

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


(Homo sapiens)
BDBM173433
PNG
(US9096601, 8-7)
Show SMILES COc1cc(ccc1Nc1ncc2nc(Nc3ccccc3)n(C(C)C)c2n1)C(=O)NN1CCN(C)CC1
Show InChI InChI=1S/C27H33N9O2/c1-18(2)36-24-22(31-27(36)29-20-8-6-5-7-9-20)17-28-26(32-24)30-21-11-10-19(16-23(21)38-4)25(37)33-35-14-12-34(3)13-15-35/h5-11,16-18H,12-15H2,1-4H3,(H,29,31)(H,33,37)(H,28,30,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 128n/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)

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


(Homo sapiens)
BDBM173455
PNG
(US9096601, 8-30)
Show SMILES CC(C)n1c(NC2CCCCC2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C25H36N8/c1-18(2)33-23-22(29-25(33)28-19-7-5-4-6-8-19)17-26-24(30-23)27-20-9-11-21(12-10-20)32-15-13-31(3)14-16-32/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,28,29)(H,26,27,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 228n/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)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 76 total )  |  Next  |  Last  >>
Jump to: