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Patent code US9358227

Compile Data Set for Download or QSAR
Found 12 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))
BDBM139994
PNG
(US8901140, 9 | US9358227, 9)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m1/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139993
PNG
(US8901140, 8 | US9358227, 8)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show InChI InChI=1S/C25H27ClFN5O3/c1-32-9-3-4-17(32)6-8-24(33)31-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)30-16-5-7-20(27)19(26)12-16/h5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,31,33)(H,28,29,30)/b8-6+/t17-/m1/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139989
PNG
(US8901140, 2 | US9358227, 2)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1
Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1
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US Patent
n/an/a 3n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...


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


(Homo sapiens (human))
BDBM139992
PNG
(US8901140, 7 | US9358227, 7)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C
Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m0/s1
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US Patent
n/an/a 4n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139989
PNG
(US8901140, 2 | US9358227, 2)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1
Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1
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US Patent
n/an/a 6n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139994
PNG
(US8901140, 9 | US9358227, 9)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m1/s1
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US Patent
n/an/a 8n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...


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


(Homo sapiens (human))
BDBM139991
PNG
(US8901140, 5 | US9358227, 5)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
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US Patent
n/an/a 13n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139988
PNG
(US8901140, 1 | US9358227, 1)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m0/s1
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US Patent
n/an/a 22n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...


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


(Homo sapiens (human))
BDBM139990
PNG
(US8901140, 3 | US9358227, 3)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1C[C@@H](O)CN1C
Show InChI InChI=1S/C32H31ClN6O4/c1-3-42-30-15-27-25(14-28(30)38-31(41)10-8-23-13-24(40)18-39(23)2)32(20(16-34)17-36-27)37-21-7-9-29(26(33)12-21)43-19-22-6-4-5-11-35-22/h4-12,14-15,17,23-24,40H,3,13,18-19H2,1-2H3,(H,36,37)(H,38,41)/b10-8+/t23-,24-/m1/s1
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US Patent
n/an/a 36n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...


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


(Homo sapiens (human))
BDBM139991
PNG
(US8901140, 5 | US9358227, 5)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
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US Patent
n/an/a 45n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...


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


(Homo sapiens (human))
BDBM139988
PNG
(US8901140, 1 | US9358227, 1)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m0/s1
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US Patent
n/an/a 48n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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


(Homo sapiens (human))
BDBM139990
PNG
(US8901140, 3 | US9358227, 3)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1C[C@@H](O)CN1C
Show InChI InChI=1S/C32H31ClN6O4/c1-3-42-30-15-27-25(14-28(30)38-31(41)10-8-23-13-24(40)18-39(23)2)32(20(16-34)17-36-27)37-21-7-9-29(26(33)12-21)43-19-22-6-4-5-11-35-22/h4-12,14-15,17,23-24,40H,3,13,18-19H2,1-2H3,(H,36,37)(H,38,41)/b10-8+/t23-,24-/m1/s1
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US Patent
n/an/a 59n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...


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