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Patent code US10196365

Compile Data Set for Download or QSAR
Found 22 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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM332539
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-4-33-10-11-34-22-14-20-17(13-21(22)30-23(32)6-5-9-31(2)3)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h5-8,12-15H,4,9-11H2,1-3H3,(H,30,32)(H,27,28,29)/b6-5+
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US Patent
n/an/a 0.699n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332536
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES COCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-31(2)9-4-6-23(32)30-21-13-17-20(14-22(21)34-11-5-10-33-3)27-15-28-24(17)29-16-7-8-19(26)18(25)12-16/h4,6-8,12-15H,5,9-11H2,1-3H3,(H,30,32)(H,27,28,29)/b6-4+
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n/an/a 0.765n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332542
PNG
(Synthesis of (E)-N-(7-(2-ethoxyethoxy)-4-(3-ethyny...)
Show SMILES CCOCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C26H29N5O3/c1-5-19-9-7-10-20(15-19)29-26-21-16-23(30-25(32)11-8-12-31(3)4)24(34-14-13-33-6-2)17-22(21)27-18-28-26/h1,7-11,15-18H,6,12-14H2,2-4H3,(H,30,32)(H,27,28,29)/b11-8+
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n/an/a 0.771n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332537
PNG
(Synthesis of (R,E)-N-(4-(3-chloro-4-fluorophenylam...)
Show SMILES COC[C@@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-15(13-33-4)34-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(28-14-27-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,30,32)(H,27,28,29)/b6-5+/t15-/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 0.965n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332545
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C/Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-2-30-7-8-31-19-11-17-14(10-18(19)28-20(29)5-6-22)21(26-12-25-17)27-13-3-4-16(24)15(23)9-13/h3-6,9-12H,2,7-8H2,1H3,(H,28,29)(H,25,26,27)/b6-5-
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n/an/a 1.49n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332541
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CC(C)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C25H29ClFN5O3/c1-16(2)34-10-11-35-23-14-21-18(13-22(23)31-24(33)6-5-9-32(3)4)25(29-15-28-21)30-17-7-8-20(27)19(26)12-17/h5-8,12-16H,9-11H2,1-4H3,(H,31,33)(H,28,29,30)/b6-5+
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n/an/a 1.54n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332538
PNG
(Synthesis of (S,E)-N-(4-(3-chloro-4-fluorophenylam...)
Show SMILES COC[C@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-15(13-33-4)34-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(28-14-27-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,30,32)(H,27,28,29)/b6-5+/t15-/m0/s1
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n/an/a 2.73n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332540
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C25H29ClFN5O3/c1-4-10-34-11-12-35-23-15-21-18(14-22(23)31-24(33)6-5-9-32(2)3)25(29-16-28-21)30-17-7-8-20(27)19(26)13-17/h5-8,13-16H,4,9-12H2,1-3H3,(H,31,33)(H,28,29,30)/b6-5+
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n/an/a 2.85n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332542
PNG
(Synthesis of (E)-N-(7-(2-ethoxyethoxy)-4-(3-ethyny...)
Show SMILES CCOCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C26H29N5O3/c1-5-19-9-7-10-20(15-19)29-26-21-16-23(30-25(32)11-8-12-31(3)4)24(34-14-13-33-6-2)17-22(21)27-18-28-26/h1,7-11,15-18H,6,12-14H2,2-4H3,(H,30,32)(H,27,28,29)/b11-8+
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n/an/a 3.63n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332544
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-(pyridin-2-ylmet...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H33ClN6O4/c1-4-39-14-15-40-28-18-25-23(17-26(28)36-29(38)9-7-13-37(2)3)30(34-20-33-25)35-21-10-11-27(24(31)16-21)41-19-22-8-5-6-12-32-22/h5-12,16-18,20H,4,13-15,19H2,1-3H3,(H,36,38)(H,33,34,35)/b9-7+
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n/an/a 10.2n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332545
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C/Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-2-30-7-8-31-19-11-17-14(10-18(19)28-20(29)5-6-22)21(26-12-25-17)27-13-3-4-16(24)15(23)9-13/h3-6,9-12H,2,7-8H2,1H3,(H,28,29)(H,25,26,27)/b6-5-
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n/an/a 10.9n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332536
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES COCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-31(2)9-4-6-23(32)30-21-13-17-20(14-22(21)34-11-5-10-33-3)27-15-28-24(17)29-16-7-8-19(26)18(25)12-16/h4,6-8,12-15H,5,9-11H2,1-3H3,(H,30,32)(H,27,28,29)/b6-4+
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n/an/a 39.3n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332539
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-4-33-10-11-34-22-14-20-17(13-21(22)30-23(32)6-5-9-31(2)3)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h5-8,12-15H,4,9-11H2,1-3H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 42.1n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332544
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-(pyridin-2-ylmet...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H33ClN6O4/c1-4-39-14-15-40-28-18-25-23(17-26(28)36-29(38)9-7-13-37(2)3)30(34-20-33-25)35-21-10-11-27(24(31)16-21)41-19-22-8-5-6-12-32-22/h5-12,16-18,20H,4,13-15,19H2,1-3H3,(H,36,38)(H,33,34,35)/b9-7+
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n/an/a 53.9n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 73.7n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332541
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CC(C)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C25H29ClFN5O3/c1-16(2)34-10-11-35-23-14-21-18(13-22(23)31-24(33)6-5-9-32(3)4)25(29-15-28-21)30-17-7-8-20(27)19(26)12-17/h5-8,12-16H,9-11H2,1-4H3,(H,31,33)(H,28,29,30)/b6-5+
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n/an/a 83.8n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332540
PNG
(Synthesis of (E)-N-(4-(3-chloro-4-fluorophenylamin...)
Show SMILES CCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C25H29ClFN5O3/c1-4-10-34-11-12-35-23-15-21-18(14-22(23)31-24(33)6-5-9-32(2)3)25(29-16-28-21)30-17-7-8-20(27)19(26)13-17/h5-8,13-16H,4,9-12H2,1-3H3,(H,31,33)(H,28,29,30)/b6-5+
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n/an/a 132n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332537
PNG
(Synthesis of (R,E)-N-(4-(3-chloro-4-fluorophenylam...)
Show SMILES COC[C@@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-15(13-33-4)34-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(28-14-27-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,30,32)(H,27,28,29)/b6-5+/t15-/m1/s1
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UniChem
US Patent
n/an/a 148n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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


(Homo sapiens (human))
BDBM332543
PNG
(Synthesis of (E) N (4 (4 (3 fluorobenzyloxy)3-chlo...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H33ClFN5O4/c1-4-40-13-14-41-29-18-26-24(17-27(29)37-30(39)9-6-12-38(2)3)31(35-20-34-26)36-23-10-11-28(25(32)16-23)42-19-21-7-5-8-22(33)15-21/h5-11,15-18,20H,4,12-14,19H2,1-3H3,(H,37,39)(H,34,35,36)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 154n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332543
PNG
(Synthesis of (E) N (4 (4 (3 fluorobenzyloxy)3-chlo...)
Show SMILES CCOCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H33ClFN5O4/c1-4-40-13-14-41-29-18-26-24(17-27(29)37-30(39)9-6-12-38(2)3)31(35-20-34-26)36-23-10-11-28(25(32)16-23)42-19-21-7-5-8-22(33)15-21/h5-11,15-18,20H,4,12-14,19H2,1-3H3,(H,37,39)(H,34,35,36)/b9-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM332538
PNG
(Synthesis of (S,E)-N-(4-(3-chloro-4-fluorophenylam...)
Show SMILES COC[C@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H27ClFN5O3/c1-15(13-33-4)34-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(28-14-27-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,30,32)(H,27,28,29)/b6-5+/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 482n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instruc...


US Patent US10196365 (2019)

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