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Patent code US9714235

Compile Data Set for Download or QSAR
Found 40 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 and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264170
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19-,20-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264162
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC
Show InChI InChI=1S/C26H29ClFN5O4/c1-35-10-11-37-24-14-22-19(26(30-16-29-22)31-17-5-6-21(28)20(27)12-17)13-23(24)32-25(34)4-3-8-33-9-7-18(33)15-36-2/h3-6,12-14,16,18H,7-11,15H2,1-2H3,(H,32,34)(H,29,30,31)/b4-3+/t18-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264168
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-((S)-tet...)
Show SMILES COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C27H29ClFN5O4/c1-36-14-18-6-9-34(18)8-2-3-26(35)33-24-12-20-23(13-25(24)38-19-7-10-37-15-19)30-16-31-27(20)32-17-4-5-22(29)21(28)11-17/h2-5,11-13,16,18-19H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t18?,19-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264160
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-35-23-13-21-18(25(29-15-28-21)30-16-6-7-20(27)19(26)11-16)12-22(23)31-24(33)5-4-9-32-10-8-17(32)14-34-2/h4-7,11-13,15,17H,3,8-10,14H2,1-2H3,(H,31,33)(H,28,29,30)/b5-4+/t17-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264129
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methox...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25ClFN5O3/c1-33-13-16-7-9-31(16)8-3-4-23(32)30-21-11-17-20(12-22(21)34-2)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-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264129
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methox...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25ClFN5O3/c1-33-13-16-7-9-31(16)8-3-4-23(32)30-21-11-17-20(12-22(21)34-2)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-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264162
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC
Show InChI InChI=1S/C26H29ClFN5O4/c1-35-10-11-37-24-14-22-19(26(30-16-29-22)31-17-5-6-21(28)20(27)12-17)13-23(24)32-25(34)4-3-8-33-9-7-18(33)15-36-2/h3-6,12-14,16,18H,7-11,15H2,1-2H3,(H,32,34)(H,29,30,31)/b4-3+/t18-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264160
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-35-23-13-21-18(25(29-15-28-21)30-16-6-7-20(27)19(26)11-16)12-22(23)31-24(33)5-4-9-32-10-8-17(32)14-34-2/h4-7,11-13,15,17H,3,8-10,14H2,1-2H3,(H,31,33)(H,28,29,30)/b5-4+/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264128
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methoxyq...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1CO
Show InChI InChI=1S/C23H23ClFN5O3/c1-33-21-11-19-16(23(27-13-26-19)28-14-4-5-18(25)17(24)9-14)10-20(21)29-22(32)3-2-7-30-8-6-15(30)12-31/h2-5,9-11,13,15,31H,6-8,12H2,1H3,(H,29,32)(H,26,27,28)/b3-2+
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n/an/a 2.30n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264169
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C27H29ClFN5O5/c28-21-10-17(3-4-22(21)29)32-27-20-11-24(33-26(36)2-1-6-34-7-5-18(34)13-35)25(12-23(20)30-16-31-27)39-15-19-14-37-8-9-38-19/h1-4,10-12,16,18-19,35H,5-9,13-15H2,(H,33,36)(H,30,31,32)/b2-1+/t18?,19-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264175
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264170
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19-,20-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264175
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264168
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-((S)-tet...)
Show SMILES COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C27H29ClFN5O4/c1-36-14-18-6-9-34(18)8-2-3-26(35)33-24-12-20-23(13-25(24)38-19-7-10-37-15-19)30-16-31-27(20)32-17-4-5-22(29)21(28)11-17/h2-5,11-13,16,18-19H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t18?,19-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264167
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-((S)-tet...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C26H27ClFN5O4/c27-20-10-16(3-4-21(20)28)31-26-19-11-23(32-25(35)2-1-7-33-8-5-17(33)13-34)24(12-22(19)29-15-30-26)37-18-6-9-36-14-18/h1-4,10-12,15,17-18,34H,5-9,13-14H2,(H,32,35)(H,29,30,31)/b2-1+/t17?,18-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264163
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC
Show InChI InChI=1S/C26H29ClFN5O4/c1-35-10-11-37-24-14-22-19(26(30-16-29-22)31-17-5-6-21(28)20(27)12-17)13-23(24)32-25(34)4-3-8-33-9-7-18(33)15-36-2/h3-6,12-14,16,18H,7-11,15H2,1-2H3,(H,32,34)(H,29,30,31)/b4-3+/t18-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264173
PNG
((E)-N-(7-(((S)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19?,20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264173
PNG
((E)-N-(7-(((S)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19?,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264128
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methoxyq...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1CO
Show InChI InChI=1S/C23H23ClFN5O3/c1-33-21-11-19-16(23(27-13-26-19)28-14-4-5-18(25)17(24)9-14)10-20(21)29-22(32)3-2-7-30-8-6-15(30)12-31/h2-5,9-11,13,15,31H,6-8,12H2,1H3,(H,29,32)(H,26,27,28)/b3-2+
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n/an/a 5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264163
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC
Show InChI InChI=1S/C26H29ClFN5O4/c1-35-10-11-37-24-14-22-19(26(30-16-29-22)31-17-5-6-21(28)20(27)12-17)13-23(24)32-25(34)4-3-8-33-9-7-18(33)15-36-2/h3-6,12-14,16,18H,7-11,15H2,1-2H3,(H,32,34)(H,29,30,31)/b4-3+/t18-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264165
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclo...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-36-15-19-8-10-34(19)9-2-3-26(35)33-24-12-20-23(13-25(24)37-14-17-4-5-17)30-16-31-27(20)32-18-6-7-22(29)21(28)11-18/h2-3,6-7,11-13,16-17,19H,4-5,8-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t19-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264161
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-35-23-13-21-18(25(29-15-28-21)30-16-6-7-20(27)19(26)11-16)12-22(23)31-24(33)5-4-9-32-10-8-17(32)14-34-2/h4-7,11-13,15,17H,3,8-10,14H2,1-2H3,(H,31,33)(H,28,29,30)/b5-4+/t17-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264161
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-35-23-13-21-18(25(29-15-28-21)30-16-6-7-20(27)19(26)11-16)12-22(23)31-24(33)5-4-9-32-10-8-17(32)14-34-2/h4-7,11-13,15,17H,3,8-10,14H2,1-2H3,(H,31,33)(H,28,29,30)/b5-4+/t17-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264164
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclopr...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C26H27ClFN5O3/c27-20-10-17(5-6-21(20)28)31-26-19-11-23(32-25(35)2-1-8-33-9-7-18(33)13-34)24(36-14-16-3-4-16)12-22(19)29-15-30-26/h1-2,5-6,10-12,15-16,18,34H,3-4,7-9,13-14H2,(H,32,35)(H,29,30,31)/b2-1+
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n/an/a 9.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264167
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-((S)-tet...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C26H27ClFN5O4/c27-20-10-16(3-4-21(20)28)31-26-19-11-23(32-25(35)2-1-7-33-8-5-17(33)13-34)24(12-22(19)29-15-30-26)37-18-6-9-36-14-18/h1-4,10-12,15,17-18,34H,5-9,13-14H2,(H,32,35)(H,29,30,31)/b2-1+/t17?,18-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264174
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C28H29ClFN5O4/c29-22-8-16(3-4-23(22)30)33-28-18-9-25(34-27(37)2-1-6-35-7-5-17(35)11-36)26(10-24(18)31-15-32-28)39-14-21-19-12-38-13-20(19)21/h1-4,8-10,15,17,19-21,36H,5-7,11-14H2,(H,34,37)(H,31,32,33)/b2-1+/t17?,19-,20+,21+
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n/an/a 10.8n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264171
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19-,20+/m0/s1
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n/an/a 11.2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264174
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C28H29ClFN5O4/c29-22-8-16(3-4-23(22)30)33-28-18-9-25(34-27(37)2-1-6-35-7-5-17(35)11-36)26(10-24(18)31-15-32-28)39-14-21-19-12-38-13-20(19)21/h1-4,8-10,15,17,19-21,36H,5-7,11-14H2,(H,34,37)(H,31,32,33)/b2-1+/t17?,19-,20+,21+
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n/an/a 11.2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264164
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclopr...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C26H27ClFN5O3/c27-20-10-17(5-6-21(20)28)31-26-19-11-23(32-25(35)2-1-8-33-9-7-18(33)13-34)24(36-14-16-3-4-16)12-22(19)29-15-30-26/h1-2,5-6,10-12,15-16,18,34H,3-4,7-9,13-14H2,(H,32,35)(H,29,30,31)/b2-1+
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n/an/a 11.8n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264169
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C27H29ClFN5O5/c28-21-10-17(3-4-22(21)29)32-27-20-11-24(33-26(36)2-1-6-34-7-5-18(34)13-35)25(12-23(20)30-16-31-27)39-15-19-14-37-8-9-38-19/h1-4,10-12,16,18-19,35H,5-9,13-15H2,(H,33,36)(H,30,31,32)/b2-1+/t18?,19-/m1/s1
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n/an/a 13.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264159
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methox...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25ClFN5O3/c1-33-13-16-7-9-31(16)8-3-4-23(32)30-21-11-17-20(12-22(21)34-2)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 14.2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264165
PNG
((R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclo...)
Show SMILES COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-36-15-19-8-10-34(19)9-2-3-26(35)33-24-12-20-23(13-25(24)37-14-17-4-5-17)30-16-31-27(20)32-18-6-7-22(29)21(28)11-18/h2-3,6-7,11-13,16-17,19H,4-5,8-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t19-/m1/s1
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n/an/a 15.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264176
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/m0/s1
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n/an/a 15.6n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264172
PNG
((E)-N-(7-(((S)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1
Show InChI InChI=1S/C27H29ClFN5O5/c28-21-10-17(3-4-22(21)29)32-27-20-11-24(33-26(36)2-1-6-34-7-5-18(34)13-35)25(12-23(20)30-16-31-27)39-15-19-14-37-8-9-38-19/h1-4,10-12,16,18-19,35H,5-9,13-15H2,(H,33,36)(H,30,31,32)/b2-1+/t18?,19-/m0/s1
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n/an/a 17.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264159
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-methox...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25ClFN5O3/c1-33-13-16-7-9-31(16)8-3-4-23(32)30-21-11-17-20(12-22(21)34-2)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 21.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264166
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclo...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-36-15-19-8-10-34(19)9-2-3-26(35)33-24-12-20-23(13-25(24)37-14-17-4-5-17)30-16-31-27(20)32-18-6-7-22(29)21(28)11-18/h2-3,6-7,11-13,16-17,19H,4-5,8-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t19-/m0/s1
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n/an/a 21.7n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264176
PNG
((E)-N-(7-((1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-yl...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12
Show InChI InChI=1S/C29H31ClFN5O4/c1-38-12-18-6-8-36(18)7-2-3-28(37)35-26-10-19-25(11-27(26)40-15-22-20-13-39-14-21(20)22)32-16-33-29(19)34-17-4-5-24(31)23(30)9-17/h2-5,9-11,16,18,20-22H,6-8,12-15H2,1H3,(H,35,37)(H,32,33,34)/b3-2+/t18-,20-,21+,22+/m0/s1
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n/an/a 22.2n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM264171
PNG
((E)-N-(7-(((R)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1
Show InChI InChI=1S/C28H31ClFN5O5/c1-37-14-19-6-8-35(19)7-2-3-27(36)34-25-12-21-24(13-26(25)40-16-20-15-38-9-10-39-20)31-17-32-28(21)33-18-4-5-23(30)22(29)11-18/h2-5,11-13,17,19-20H,6-10,14-16H2,1H3,(H,34,36)(H,31,32,33)/b3-2+/t19-,20+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264166
PNG
((S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(cyclo...)
Show SMILES COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
Show InChI InChI=1S/C27H29ClFN5O3/c1-36-15-19-8-10-34(19)9-2-3-26(35)33-24-12-20-23(13-25(24)37-14-17-4-5-17)30-16-31-27(20)32-18-6-7-22(29)21(28)11-18/h2-3,6-7,11-13,16-17,19H,4-5,8-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t19-/m0/s1
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n/an/a 32.8n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM264172
PNG
((E)-N-(7-(((S)-1,4-dioxan-2-yl)methoxy)-4-(3-chlor...)
Show SMILES OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1
Show InChI InChI=1S/C27H29ClFN5O5/c28-21-10-17(3-4-22(21)29)32-27-20-11-24(33-26(36)2-1-6-34-7-5-18(34)13-35)25(12-23(20)30-16-31-27)39-15-19-14-37-8-9-38-19/h1-4,10-12,16,18-19,35H,5-9,13-15H2,(H,33,36)(H,30,31,32)/b2-1+/t18?,19-/m0/s1
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n/an/a 39.5n/an/an/an/an/an/a



Shanghai Fochon Pharmaceutical Co., Ltd.

US Patent


Assay Description
To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpressio...


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