BindingDB logo
myBDB logout

Patent code US9670213

Compile Data Set for Download or QSAR
Found 175 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
US Patent
n/an/a 0.280n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.820n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM50383274
PNG
(CHEMBL1229592 | US9670213, WZ4002)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
US Patent
n/an/a 1.02n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.17n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20n/an/an/an/an/an/a



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)

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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.47n/an/an/an/an/an/a



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)

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


(Homo sapiens)
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)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.36n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM50383274
PNG
(CHEMBL1229592 | US9670213, WZ4002)
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)
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
US Patent
n/an/a 2.60n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195873
PNG
(US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.02n/an/an/an/an/an/a



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)

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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.67n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195880
PNG
(US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...)
Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.39n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195879
PNG
(US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.12n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195870
PNG
(US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.28n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195877
PNG
(US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.33n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195876
PNG
(US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O
Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.49n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195878
PNG
(US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.57n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
US Patent
n/an/a 5.60n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195873
PNG
(US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.83n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195881
PNG
(US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.93n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195881
PNG
(US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.24n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195873
PNG
(US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.94n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.40n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM50383274
PNG
(CHEMBL1229592 | US9670213, WZ4002)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
US Patent
n/an/a 9.58n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195880
PNG
(US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...)
Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 9.64n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 10n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195870
PNG
(US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 12n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195876
PNG
(US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O
Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 12n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195877
PNG
(US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195880
PNG
(US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...)
Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195879
PNG
(US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<14n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195870
PNG
(US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 15n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195879
PNG
(US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 16n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195881
PNG
(US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 16n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195878
PNG
(US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 16n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195869
PNG
(US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 16n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 19n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195876
PNG
(US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O
Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



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)

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


(Homo sapiens (human))
BDBM195877
PNG
(US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 23n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195878
PNG
(US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 23n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195869
PNG
(US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 26n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 27n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 30n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195883
PNG
(US9670213, Compound 028 2-(3-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 34n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 39n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195868
PNG
(US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195873
PNG
(US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 41n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195885
PNG
(US9670213, Compound 030 2-(4-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 43n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195866
PNG
(US9670213, Compound 011 4-(2 (4-methoxyphenylamino...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(30-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 48n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195874
PNG
(US9670213, Compound 019 N-(4-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 51n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 61n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195866
PNG
(US9670213, Compound 011 4-(2 (4-methoxyphenylamino...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(30-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 67n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195872
PNG
(US9670213, Compound 017 N-(3-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 67n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 69n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195866
PNG
(US9670213, Compound 011 4-(2 (4-methoxyphenylamino...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(30-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 70n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195872
PNG
(US9670213, Compound 017 N-(3-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 70n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195880
PNG
(US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...)
Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 76n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 81n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195876
PNG
(US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O
Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 83n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195878
PNG
(US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 83n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195872
PNG
(US9670213, Compound 017 N-(3-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 85n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195866
PNG
(US9670213, Compound 011 4-(2 (4-methoxyphenylamino...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(30-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 85n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195868
PNG
(US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195866
PNG
(US9670213, Compound 011 4-(2 (4-methoxyphenylamino...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(OC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(30-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 89n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195881
PNG
(US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 96n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195877
PNG
(US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 98n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195884
PNG
(US9670213, Compound 029 N-(4-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 100n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195868
PNG
(US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 101n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 106n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195869
PNG
(US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 113n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 115n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195871
PNG
(US9670213, Compound 016 N-(4-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 116n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195882
PNG
(US9670213, Compound 027 N-(3-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-5-4-6-15(11-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-7-9-17(31-2)10-8-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 119n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195870
PNG
(US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 124n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195869
PNG
(US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 129n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 137n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195879
PNG
(US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 148n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 152n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195872
PNG
(US9670213, Compound 017 N-(3-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 156n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195867
PNG
(US9670213, Compound 012 4-(dimethylamino)-N-(4-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)14-6-9-21(32)27-18-10-12-19(13-11-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3,(H,27,32)(H,26,28,29)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 160n/an/an/an/an/an/a



East China University of Science and Technology

US Patent


Assay Description
Metabotropic glutamate receptors were transiently transfected in HEK293 cells by electroporation as described elsewhere (Brabet I. et al., 1998) and ...


US Patent US9670213 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195868
PNG
(US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 171n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195886
PNG
(US9670213, Compound 031 N-(4-(2-(2-methoxy)-4-(4-m...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 180n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 206n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195886
PNG
(US9670213, Compound 031 N-(4-(2-(2-methoxy)-4-(4-m...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 229n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 322n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195871
PNG
(US9670213, Compound 016 N-(4-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 358n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195886
PNG
(US9670213, Compound 031 N-(4-(2-(2-methoxy)-4-(4-m...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 376n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195886
PNG
(US9670213, Compound 031 N-(4-(2-(2-methoxy)-4-(4-m...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 429n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 446n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 463n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 546n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195881
PNG
(US9670213, Compound 026 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-16-6-5-7-17(12-16)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-15-8-10-18(32-3)11-9-15/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 568n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 606n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 665n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195874
PNG
(US9670213, Compound 019 N-(4-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 738n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195874
PNG
(US9670213, Compound 019 N-(4-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 796n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195873
PNG
(US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 798n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195886
PNG
(US9670213, Compound 031 N-(4-(2-(2-methoxy)-4-(4-m...)
Show SMILES COc1cc(ccc1Nc1ncc2ncc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 812n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195876
PNG
(US9670213, Compound 021 N-(3-(7-oxo-2-(4-(1-piperi...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ncc1=O
Show InChI InChI=1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(12-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 878n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195877
PNG
(US9670213, Compound 022 N-(3-(7-oxo-2-(4-(1-pyrrol...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(11-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.08E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.17E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195882
PNG
(US9670213, Compound 027 N-(3-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-5-4-6-15(11-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-7-9-17(31-2)10-8-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195874
PNG
(US9670213, Compound 019 N-(4-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.26E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195884
PNG
(US9670213, Compound 029 N-(4-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.32E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.49E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195871
PNG
(US9670213, Compound 016 N-(4-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.49E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195861
PNG
(US9670213, Compound 006 N-(3-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.59E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195882
PNG
(US9670213, Compound 027 N-(3-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-5-4-6-15(11-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-7-9-17(31-2)10-8-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.71E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195878
PNG
(US9670213, Compound 023 N-(3-(2-(4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.76E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195880
PNG
(US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...)
Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.79E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195870
PNG
(US9670213, Compound 015 N-(3-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-8-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.86E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195867
PNG
(US9670213, Compound 012 4-(dimethylamino)-N-(4-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)14-6-9-21(32)27-18-10-12-19(13-11-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3,(H,27,32)(H,26,28,29)/b9-6+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.92E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195882
PNG
(US9670213, Compound 027 N-(3-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-5-4-6-15(11-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-7-9-17(31-2)10-8-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.02E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.25E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195872
PNG
(US9670213, Compound 017 N-(3-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.83E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195857
PNG
(US9670213, Compound 002 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.04E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.18E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.30E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195885
PNG
(US9670213, Compound 030 2-(4-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.42E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195883
PNG
(US9670213, Compound 028 2-(3-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.53E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195879
PNG
(US9670213, Compound 024 N-(3-(2-(4-(acetylamino)-p...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.55E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195868
PNG
(US9670213, Compound 013 4-(dimethylamino)-N-(3-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.78E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.08E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.17E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.39E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.88E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195864
PNG
(US9670213, Compound 009 4-(dimethylamino)-N-(4-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)14-4-5-22(33)28-17-6-10-19(11-7-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-8-12-20(35-3)13-9-18/h4-13,15-16H,14H2,1-3H3,(H,28,33)(H,27,29,30)/b5-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.31E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195867
PNG
(US9670213, Compound 012 4-(dimethylamino)-N-(4-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)14-6-9-21(32)27-18-10-12-19(13-11-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3,(H,27,32)(H,26,28,29)/b9-6+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.34E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195882
PNG
(US9670213, Compound 027 N-(3-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(NC(=O)C=C)c3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-5-4-6-15(11-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-7-9-17(31-2)10-8-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.66E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195867
PNG
(US9670213, Compound 012 4-(dimethylamino)-N-(4-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)14-6-9-21(32)27-18-10-12-19(13-11-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3,(H,27,32)(H,26,28,29)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.98E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.08E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195867
PNG
(US9670213, Compound 012 4-(dimethylamino)-N-(4-(7-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C24H23N7O2/c1-30(2)14-6-9-21(32)27-18-10-12-19(13-11-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3,(H,27,32)(H,26,28,29)/b9-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.32E+3n/an/an/an/an/an/a



East China University of Science and Technology

US Patent


Assay Description
Metabotropic glutamate receptors were transiently transfected in HEK293 cells by electroporation as described elsewhere (Brabet I. et al., 1998) and ...


US Patent US9670213 (2017)

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


(Homo sapiens)
BDBM195874
PNG
(US9670213, Compound 019 N-(4-(2-(4-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.38E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195885
PNG
(US9670213, Compound 030 2-(4-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.75E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195869
PNG
(US9670213, Compound 014 N-(4-(7-oxo-2-(phenylamino...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccccc3)ncc2ncc1=O
Show InChI InChI=1S/C21H16N6O2/c1-2-18(28)24-15-8-10-16(11-9-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-6-4-3-5-7-14/h2-13H,1H2,(H,24,28)(H,23,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.48E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195871
PNG
(US9670213, Compound 016 N-(4-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.58E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195883
PNG
(US9670213, Compound 028 2-(3-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.95E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.01E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195865
PNG
(US9670213, Compound 010 4-(dimethylamino)-N-(3-(2-...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1
Show InChI InChI=1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.09E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195858
PNG
(US9670213, Compound 003 N-(4-(2-(4-morpholino-phen...)
Show SMILES C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O
Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.70E+3n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195885
PNG
(US9670213, Compound 030 2-(4-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195884
PNG
(US9670213, Compound 029 N-(4-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195871
PNG
(US9670213, Compound 016 N-(4-(2-(4-chlorophenylami...)
Show SMILES Clc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195884
PNG
(US9670213, Compound 029 N-(4-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195884
PNG
(US9670213, Compound 029 N-(4-(8-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(NC(=O)C=C)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195859
PNG
(US9670213, Compound 004 N-(4-(2-(4-methoxyphenylam...)
Show SMILES COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1
Show InChI InChI=1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM195862
PNG
(US9670213, Compound 007 N-(3-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-15-5-4-6-16(11-15)28-20(30)13-23-18-12-24-22(27-21(18)28)26-14-7-9-17(31-2)10-8-14/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195863
PNG
(US9670213, Compound 008 N-(4-(2-(4-methoxyphenylam...)
Show SMILES CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
Show InChI InChI=1S/C22H20N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,29)(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195081
PNG
(US9670213, Compound 001 8-(4-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens (human))
BDBM195883
PNG
(US9670213, Compound 028 2-(3-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.06E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195883
PNG
(US9670213, Compound 028 2-(3-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3cccc(N)c3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.89E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195885
PNG
(US9670213, Compound 030 2-(4-aminophenylamino)-8-(...)
Show SMILES COc1ccc(cc1)-n1c2nc(Nc3ccc(N)cc3)ncc2ncc1=O
Show InChI InChI=1S/C19H16N6O2/c1-27-15-8-6-14(7-9-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-12(20)3-5-13/h2-11H,20H2,1H3,(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.38E+4n/an/an/an/an/an/a



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)

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


(Homo sapiens)
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.72E+4n/an/an/an/an/an/a



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)

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