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Patent code US10435361

Compile Data Set for Download or QSAR

Found 318 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256521
PNG
(US10435361, Example 20 | US9481648, 20 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H48N6O9/c1-41(2,3)26-21-32(38(42)48)37(52-6)34(22-26)46-40(49)45-33-11-12-35(31-10-8-7-9-30(31)33)56-36-13-14-43-39(47-36)44-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,42,48)(H,43,44,47)(H2,45,46,49)
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Topivert Pharma Limited

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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256511
PNG
(US10435361, Example 9 | US9481648, 9 | US9790174, ...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H46N8O6/c1-7-27-22-28(39(52)45-16-17-51-18-20-56-21-19-51)24-30(23-27)47-41-46-15-14-37(50-41)57-36-13-12-34(31-10-8-9-11-32(31)36)48-42(54)49-35-26-29(43(2,3)4)25-33(38(35)55-6)40(53)44-5/h1,8-15,22-26H,16-21H2,2-6H3,(H,44,53)(H,45,52)(H,46,47,50)(H2,48,49,54)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347466
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCOCCOCCOC)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H51N7O8/c1-42(2,3)28-24-34(43-4)38(54-7)35(25-28)48-41(51)47-33-12-13-36(32-11-9-8-10-31(32)33)57-37-14-15-45-40(49-37)46-29-22-27(23-30(26-29)53-6)39(50)44-16-17-55-20-21-56-19-18-52-5/h8-15,22-26,43H,16-21H2,1-7H3,(H,44,50)(H,45,46,49)(H2,47,48,51)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256515
PNG
(US10435361, Example 13 | US9481648, 13 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H50N6O9/c1-42(2,3)27-22-33(39(49)43-4)38(53-7)35(23-27)47-41(50)46-34-12-13-36(32-11-9-8-10-31(32)34)57-37-14-15-44-40(48-37)45-28-24-29(52-6)26-30(25-28)56-21-20-55-19-18-54-17-16-51-5/h8-15,22-26H,16-21H2,1-7H3,(H,43,49)(H,44,45,48)(H2,46,47,50)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256519
PNG
(US10435361, Example 18 | US9481648, 18 | US9790174...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C44H55N7O10S/c1-44(2,3)30-25-37(41(56-5)38(26-30)50-62(6,53)54)48-43(52)47-36-11-12-39(35-10-8-7-9-34(35)36)61-40-13-14-45-42(49-40)46-31-27-32(55-4)29-33(28-31)60-24-23-59-22-21-58-20-17-51-15-18-57-19-16-51/h7-14,25-29,50H,15-24H2,1-6H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256534
PNG
(US10435361, Example 33 | US9481648, 33 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NC5CC5)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O9/c1-44(2,3)28-23-35(41(51)46-29-11-12-29)40(55-6)37(24-28)49-43(52)48-36-13-14-38(34-10-8-7-9-33(34)36)59-39-15-16-45-42(50-39)47-30-25-31(54-5)27-32(26-30)58-22-21-57-20-19-56-18-17-53-4/h7-10,13-16,23-27,29H,11-12,17-22H2,1-6H3,(H,46,51)(H,45,47,50)(H2,48,49,52)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256524
PNG
(US10435361, Example 23 | US9481648, 23 | US9790174...)
Show SMILES CNC(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)cc(c1)C(C)(C)C
Show InChI InChI=1S/C41H48N6O8/c1-41(2,3)28-21-27(38(48)42-4)22-29(23-28)45-40(49)46-35-11-12-36(34-10-8-7-9-33(34)35)55-37-13-14-43-39(47-37)44-30-24-31(51-6)26-32(25-30)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-26H,15-20H2,1-6H3,(H,42,48)(H,43,44,47)(H2,45,46,49)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256516
PNG
(US10435361, Example 14 | US9481648, 14 | US9790174...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C49H66N6O14S/c1-49(2,3)35-30-42(46(61-6)43(31-35)55-70(7,57)58)53-48(56)52-41-12-13-44(40-11-9-8-10-39(40)41)69-45-14-15-50-47(54-45)51-36-32-37(60-5)34-38(33-36)68-29-28-67-27-26-66-25-24-65-23-22-64-21-20-63-19-18-62-17-16-59-4/h8-15,30-34,55H,16-29H2,1-7H3,(H,50,51,54)(H2,52,53,56)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256524
PNG
(US10435361, Example 23 | US9481648, 23 | US9790174...)
Show SMILES CNC(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)cc(c1)C(C)(C)C
Show InChI InChI=1S/C41H48N6O8/c1-41(2,3)28-21-27(38(48)42-4)22-29(23-28)45-40(49)46-35-11-12-36(34-10-8-7-9-33(34)35)55-37-13-14-43-39(47-37)44-30-24-31(51-6)26-32(25-30)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-26H,15-20H2,1-6H3,(H,42,48)(H,43,44,47)(H2,45,46,49)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347465
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C41H48N8O6/c1-41(2,3)27-23-33(42-4)37(53-6)34(24-27)47-40(51)46-32-11-12-35(31-10-8-7-9-30(31)32)55-36-13-14-44-39(48-36)45-28-21-26(22-29(25-28)52-5)38(50)43-15-16-49-17-19-54-20-18-49/h7-14,21-25,42H,15-20H2,1-6H3,(H,43,50)(H,44,45,48)(H2,46,47,51)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256538
PNG
(US10435361, Example 37 | US9481648, 37 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCC(=O)OC)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O11/c1-44(2,3)28-22-34(41(52)46-27-39(51)56-6)40(57-7)36(23-28)49-43(53)48-35-12-13-37(33-11-9-8-10-32(33)35)61-38-14-15-45-42(50-38)47-29-24-30(55-5)26-31(25-29)60-21-20-59-19-18-58-17-16-54-4/h8-15,22-26H,16-21,27H2,1-7H3,(H,46,52)(H,45,47,50)(H2,48,49,53)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM414113
PNG
(US10435361, Example 1)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H46N8O5/c1-7-27-22-28(39(51)44-16-17-50-18-20-54-21-19-50)24-30(23-27)46-40-45-15-14-37(49-40)55-36-13-12-33(31-10-8-9-11-32(31)36)47-41(52)48-35-26-29(42(2,3)4)25-34(43-5)38(35)53-6/h1,8-15,22-26,43H,16-21H2,2-6H3,(H,44,51)(H,45,46,49)(H2,47,48,52)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256570
PNG
(US10435361, Example 69 | US9481648, 69 | US9790174...)
Show SMILES CCOc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C42H52N6O10S/c1-8-56-39-35(23-28(42(2,3)4)24-36(39)48-59(7,50)51)46-41(49)45-34-13-14-37(33-12-10-9-11-32(33)34)58-38-15-16-43-40(47-38)44-29-25-30(53-6)27-31(26-29)57-22-21-55-20-19-54-18-17-52-5/h9-16,23-27,48H,8,17-22H2,1-7H3,(H,43,44,47)(H2,45,46,49)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256536
PNG
(US10435361, Example 35 | US9481648, 35 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCCO)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H52N6O10/c1-43(2,3)28-23-34(40(51)44-15-16-50)39(55-6)36(24-28)48-42(52)47-35-11-12-37(33-10-8-7-9-32(33)35)59-38-13-14-45-41(49-38)46-29-25-30(54-5)27-31(26-29)58-22-21-57-20-19-56-18-17-53-4/h7-14,23-27,50H,15-22H2,1-6H3,(H,44,51)(H,45,46,49)(H2,47,48,52)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256525
PNG
(US10435361, Example 24 | US9481648, 24 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(NS(C)(=O)=O)cc(c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C40H48N6O9S/c1-40(2,3)27-21-28(23-30(22-27)46-56(6,48)49)43-39(47)44-35-11-12-36(34-10-8-7-9-33(34)35)55-37-13-14-41-38(45-37)42-29-24-31(51-5)26-32(25-29)54-20-19-53-18-17-52-16-15-50-4/h7-14,21-26,46H,15-20H2,1-6H3,(H,41,42,45)(H2,43,44,47)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347463
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C41H50N6O8/c1-41(2,3)27-22-34(42-4)38(51-7)35(23-27)46-40(48)45-33-12-13-36(32-11-9-8-10-31(32)33)55-37-14-15-43-39(47-37)44-28-24-29(50-6)26-30(25-28)54-21-20-53-19-18-52-17-16-49-5/h8-15,22-26,42H,16-21H2,1-7H3,(H,43,44,47)(H2,45,46,48)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256547
PNG
(US10435361, Example 46 | US9481648, 46 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCCN(C)C)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)30-25-36(42(53)46-17-18-52(4)5)41(57-8)38(26-30)50-44(54)49-37-13-14-39(35-12-10-9-11-34(35)37)61-40-15-16-47-43(51-40)48-31-27-32(56-7)29-33(28-31)60-24-23-59-22-21-58-20-19-55-6/h9-16,25-29H,17-24H2,1-8H3,(H,46,53)(H,47,48,51)(H2,49,50,54)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256548
PNG
(US10435361, Example 47 | US9481648, 47 | US9790174...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)27-22-33(39(43)50)38(54-5)35(23-27)48-41(52)47-34-10-11-36(32-9-7-6-8-31(32)34)56-29-12-13-44-37(25-29)46-28-20-26(21-30(24-28)53-4)40(51)45-14-15-49-16-18-55-19-17-49/h6-13,20-25H,14-19H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256552
PNG
(US10435361, Example 51 | US9481648, 51 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NC5COC5)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O10/c1-44(2,3)28-21-35(41(51)46-30-26-58-27-30)40(55-6)37(22-28)49-43(52)48-36-11-12-38(34-10-8-7-9-33(34)36)60-39-13-14-45-42(50-39)47-29-23-31(54-5)25-32(24-29)59-20-19-57-18-17-56-16-15-53-4/h7-14,21-25,30H,15-20,26-27H2,1-6H3,(H,46,51)(H,45,47,50)(H2,48,49,52)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256537
PNG
(US10435361, Example 36 | US9481648, 36 | US9790174...)
Show SMILES COCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C39H46N6O9S/c1-39(2,3)25-20-32(36(51-6)33(21-25)45-55(7,47)48)43-38(46)42-31-12-13-34(30-11-9-8-10-29(30)31)54-35-14-15-40-37(44-35)41-26-22-27(50-5)24-28(23-26)53-19-18-52-17-16-49-4/h8-15,20-24,45H,16-19H2,1-7H3,(H,40,41,44)(H2,42,43,46)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347469
PNG
(N-(5-(tert-Butyl)-3-(3-(2,3-dichloro-4-((2-((3-met...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c(Cl)c2Cl)c1OC)C(C)(C)C
Show InChI InChI=1S/C37H46Cl2N6O8/c1-37(2,3)23-18-28(40-4)34(49-7)29(19-23)44-36(46)43-27-8-9-30(33(39)32(27)38)53-31-10-11-41-35(45-31)42-24-20-25(48-6)22-26(21-24)52-17-16-51-15-14-50-13-12-47-5/h8-11,18-22,40H,12-17H2,1-7H3,(H,41,42,45)(H2,43,44,46)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256581
PNG
(US10435361, Example 80 | US9481648, 80 | US9790174...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)c3)c3ccccc23)cc(cc1C(=O)NC1COC1)C(C)(C)C
Show InChI InChI=1S/C37H38N6O5/c1-37(2,3)23-17-29(35(44)41-25-21-47-22-25)34(46-4)31(18-23)43-36(45)42-30-12-13-32(28-11-6-5-10-27(28)30)48-26-14-16-39-33(19-26)40-20-24-9-7-8-15-38-24/h5-19,25H,20-22H2,1-4H3,(H,39,40)(H,41,44)(H2,42,43,45)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256535
PNG
(US10435361, Example 34 | US9481648, 34 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C42H49N5O9/c1-42(2,3)27-21-34(40(43)48)39(52-6)36(22-27)47-41(49)46-35-11-12-37(33-10-8-7-9-32(33)35)56-29-13-14-44-38(26-29)45-28-23-30(51-5)25-31(24-28)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-26H,15-20H2,1-6H3,(H2,43,48)(H,44,45)(H2,46,47,49)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256530
PNG
(US10435361, Example 29 | US9481648, 29 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H51N5O9/c1-43(2,3)28-22-35(41(49)44-4)40(53-7)37(23-28)48-42(50)47-36-12-13-38(34-11-9-8-10-33(34)36)57-30-14-15-45-39(27-30)46-29-24-31(52-6)26-32(25-29)56-21-20-55-19-18-54-17-16-51-5/h8-15,22-27H,16-21H2,1-7H3,(H,44,49)(H,45,46)(H2,47,48,50)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347462
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCOCCOCCOC)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H52N6O8/c1-43(2,3)29-24-36(44-4)40(54-7)37(25-29)49-42(51)48-35-12-13-38(34-11-9-8-10-33(34)35)57-31-14-15-45-39(27-31)47-30-22-28(23-32(26-30)53-6)41(50)46-16-17-55-20-21-56-19-18-52-5/h8-15,22-27,44H,16-21H2,1-7H3,(H,45,47)(H,46,50)(H2,48,49,51)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM256547
PNG
(US10435361, Example 46 | US9481648, 46 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCCN(C)C)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C45H57N7O9/c1-45(2,3)30-25-36(42(53)46-17-18-52(4)5)41(57-8)38(26-30)50-44(54)49-37-13-14-39(35-12-10-9-11-34(35)37)61-40-15-16-47-43(51-40)48-31-27-32(56-7)29-33(28-31)60-24-23-59-22-21-58-20-19-55-6/h9-16,25-29H,17-24H2,1-8H3,(H,46,53)(H,47,48,51)(H2,49,50,54)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347470
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H51N5O8/c1-42(2,3)28-22-36(43-4)40(51-7)37(23-28)47-41(48)46-35-12-13-38(34-11-9-8-10-33(34)35)55-30-14-15-44-39(27-30)45-29-24-31(50-6)26-32(25-29)54-21-20-53-19-18-52-17-16-49-5/h8-15,22-27,43H,16-21H2,1-7H3,(H,44,45)(H2,46,47,48)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256598
PNG
(US10435361, Example 84(h) | US9481648, 84(h) | US9...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(CO)cc(OC)c4)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C37H39N5O6/c1-37(2,3)23-17-29(35(44)38-4)34(47-6)31(18-23)42-36(45)41-30-11-12-32(28-10-8-7-9-27(28)30)48-25-13-14-39-33(20-25)40-24-15-22(21-43)16-26(19-24)46-5/h7-20,43H,21H2,1-6H3,(H,38,44)(H,39,40)(H2,41,42,45)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256584
PNG
(US10435361, Example 83(a) | US9481648, 83(a) | US9...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4-c4ccccc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H52N6O9S/c1-46(2,3)32-26-39(43(31-12-8-7-9-13-31)40(27-32)52-62(6,54)55)50-45(53)49-38-16-17-41(37-15-11-10-14-36(37)38)61-42-18-19-47-44(51-42)48-33-28-34(57-5)30-35(29-33)60-25-24-59-23-22-58-21-20-56-4/h7-19,26-30,52H,20-25H2,1-6H3,(H,47,48,51)(H2,49,50,53)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256556
PNG
(US10435361, Example 55 | US9481648, 55 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(N)(=O)=O)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C40H48N6O10S/c1-40(2,3)26-21-33(37(52-6)35(22-26)57(41,48)49)45-39(47)44-32-11-12-34(31-10-8-7-9-30(31)32)56-36-13-14-42-38(46-36)43-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,41,48,49)(H,42,43,46)(H2,44,45,47)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256578
PNG
(US10435361, Example 77 | US9481648, 77 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NC5COC5)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C45H53N5O10/c1-45(2,3)29-21-37(43(51)48-31-27-58-28-31)42(55-6)39(22-29)50-44(52)49-38-11-12-40(36-10-8-7-9-35(36)38)60-32-13-14-46-41(26-32)47-30-23-33(54-5)25-34(24-30)59-20-19-57-18-17-56-16-15-53-4/h7-14,21-26,31H,15-20,27-28H2,1-6H3,(H,46,47)(H,48,51)(H2,49,50,52)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256567
PNG
(US10435361, Example 66 | US9481648, 66 | US9790174...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)29-24-36(40(56-5)37(25-29)49-59(6,53)54)48-42(52)47-35-12-13-38(34-11-8-7-10-33(34)35)58-31-14-16-44-39(27-31)46-30-22-28(23-32(26-30)55-4)41(51)45-15-9-17-50-18-20-57-21-19-50/h7-8,10-14,16,22-27,49H,9,15,17-21H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142019
PNG
(US10435361, Example 16 | US8927563, I | US9481648,...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C43H49N7O9S/c1-8-28-23-29(40(51)44-17-18-57-21-22-58-20-19-55-5)25-31(24-28)46-41-45-16-15-38(49-41)59-37-14-13-34(32-11-9-10-12-33(32)37)47-42(52)48-35-26-30(43(2,3)4)27-36(39(35)56-6)50-60(7,53)54/h1,9-16,23-27,50H,17-22H2,2-7H3,(H,44,51)(H,45,46,49)(H2,47,48,52)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256535
PNG
(US10435361, Example 34 | US9481648, 34 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C42H49N5O9/c1-42(2,3)27-21-34(40(43)48)39(52-6)36(22-27)47-41(49)46-35-11-12-37(33-10-8-7-9-32(33)35)56-29-13-14-44-38(26-29)45-28-23-30(51-5)25-31(24-28)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-26H,15-20H2,1-6H3,(H2,43,48)(H,44,45)(H2,46,47,49)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256530
PNG
(US10435361, Example 29 | US9481648, 29 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H51N5O9/c1-43(2,3)28-22-35(41(49)44-4)40(53-7)37(23-28)48-42(50)47-36-12-13-38(34-11-9-8-10-33(34)36)57-30-14-15-45-39(27-30)46-29-24-31(52-6)26-32(25-29)56-21-20-55-19-18-54-17-16-51-5/h8-15,22-27H,16-21H2,1-7H3,(H,44,49)(H,45,46)(H2,47,48,50)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347486
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCN4CCOCC4)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H49N7O6/c1-42(2,3)28-23-35(43-4)39(53-6)36(24-28)48-41(51)47-34-11-12-37(33-10-8-7-9-32(33)34)55-30-13-14-44-38(26-30)46-29-21-27(22-31(25-29)52-5)40(50)45-15-16-49-17-19-54-20-18-49/h7-14,21-26,43H,15-20H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM256511
PNG
(US10435361, Example 9 | US9481648, 9 | US9790174, ...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H46N8O6/c1-7-27-22-28(39(52)45-16-17-51-18-20-56-21-19-51)24-30(23-27)47-41-46-15-14-37(50-41)57-36-13-12-34(31-10-8-9-11-32(31)36)48-42(54)49-35-26-29(43(2,3)4)25-33(38(35)55-6)40(53)44-5/h1,8-15,22-26H,16-21H2,2-6H3,(H,44,53)(H,45,52)(H,46,47,50)(H2,48,49,54)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256515
PNG
(US10435361, Example 13 | US9481648, 13 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H50N6O9/c1-42(2,3)27-22-33(39(49)43-4)38(53-7)35(23-27)47-41(50)46-34-12-13-36(32-11-9-8-10-31(32)34)57-37-14-15-44-40(48-37)45-28-24-29(52-6)26-30(25-28)56-21-20-55-19-18-54-17-16-51-5/h8-15,22-26H,16-21H2,1-7H3,(H,43,49)(H,44,45,48)(H2,46,47,50)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256560
PNG
(US10435361, Example 59 | US9481648, 59 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(-c5nnco5)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O9/c1-42(2,3)27-21-33(39-49-44-26-57-39)38(53-6)35(22-27)47-41(50)46-34-11-12-36(32-10-8-7-9-31(32)34)58-37-13-14-43-40(48-37)45-28-23-29(52-5)25-30(24-28)56-20-19-55-18-17-54-16-15-51-4/h7-14,21-26H,15-20H2,1-6H3,(H,43,45,48)(H2,46,47,50)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256597
PNG
(US10435361, Example 84(g) | US9481648, 84(g) | US9...)
Show SMILES COc1cc(CO)cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)c1
Show InChI InChI=1S/C36H37N5O6/c1-36(2,3)22-16-28(34(37)43)33(46-5)30(17-22)41-35(44)40-29-10-11-31(27-9-7-6-8-26(27)29)47-24-12-13-38-32(19-24)39-23-14-21(20-42)15-25(18-23)45-4/h6-19,42H,20H2,1-5H3,(H2,37,43)(H,38,39)(H2,40,41,44)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256517
PNG
(US10435361, Example 15 | US9481648, 15 | US9790174...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1
Show InChI InChI=1S/C42H53N7O9S/c1-42(2,3)28-23-35(39(54-7)36(24-28)48-59(8,51)52)46-41(50)45-34-13-14-37(33-12-10-9-11-32(33)34)58-38-15-16-43-40(47-38)44-29-25-30(53-6)27-31(26-29)57-22-21-56-20-19-55-18-17-49(4)5/h9-16,23-27,48H,17-22H2,1-8H3,(H,43,44,47)(H2,45,46,50)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM256534
PNG
(US10435361, Example 33 | US9481648, 33 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NC5CC5)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O9/c1-44(2,3)28-23-35(41(51)46-29-11-12-29)40(55-6)37(24-28)49-43(52)48-36-13-14-38(34-10-8-7-9-33(34)36)59-39-15-16-45-42(50-39)47-30-25-31(54-5)27-32(26-30)58-22-21-57-20-19-56-18-17-53-4/h7-10,13-16,23-27,29H,11-12,17-22H2,1-6H3,(H,46,51)(H,45,47,50)(H2,48,49,52)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256517
PNG
(US10435361, Example 15 | US9481648, 15 | US9790174...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1
Show InChI InChI=1S/C42H53N7O9S/c1-42(2,3)28-23-35(39(54-7)36(24-28)48-59(8,51)52)46-41(50)45-34-13-14-37(33-12-10-9-11-32(33)34)58-38-15-16-43-40(47-38)44-29-25-30(53-6)27-31(26-29)57-22-21-56-20-19-55-18-17-49(4)5/h9-16,23-27,48H,17-22H2,1-8H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM256521
PNG
(US10435361, Example 20 | US9481648, 20 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H48N6O9/c1-41(2,3)26-21-32(38(42)48)37(52-6)34(22-26)46-40(49)45-33-11-12-35(31-10-8-7-9-30(31)33)56-36-13-14-43-39(47-36)44-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,42,48)(H,43,44,47)(H2,45,46,49)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256599
PNG
(US10435361, Example 85(a) | US9481648, 85(a) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C42H47N7O9S/c1-42(2,3)27-21-34(39(56-5)35(22-27)48-59(6,53)54)47-41(52)46-33-11-12-36(32-10-8-7-9-31(32)33)58-29-13-14-43-37(24-29)45-28-19-26(20-30(23-28)55-4)40(51)44-25-38(50)49-15-17-57-18-16-49/h7-14,19-24,48H,15-18,25H2,1-6H3,(H,43,45)(H,44,51)(H2,46,47,52)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256540
PNG
(US10435361, Example 39 | US9481648, 39 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)c3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C44H47N7O6/c1-7-28-22-29(41(52)47-16-17-51-18-20-56-21-19-51)24-31(23-28)48-39-27-32(14-15-46-39)57-38-13-12-36(33-10-8-9-11-34(33)38)49-43(54)50-37-26-30(44(2,3)4)25-35(40(37)55-6)42(53)45-5/h1,8-15,22-27H,16-21H2,2-6H3,(H,45,53)(H,46,48)(H,47,52)(H2,49,50,54)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256525
PNG
(US10435361, Example 24 | US9481648, 24 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(NS(C)(=O)=O)cc(c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C40H48N6O9S/c1-40(2,3)27-21-28(23-30(22-27)46-56(6,48)49)43-39(47)44-35-11-12-36(34-10-8-7-9-33(34)35)55-37-13-14-41-38(45-37)42-29-24-31(51-5)26-32(25-29)54-20-19-53-18-17-52-16-15-50-4/h7-14,21-26,46H,15-20H2,1-6H3,(H,41,42,45)(H2,43,44,47)
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Assay Description
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256577
PNG
(US10435361, Example 76 | US9481648, 76 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCCN(C)C)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C46H58N6O9/c1-46(2,3)31-25-38(44(53)48-17-18-52(4)5)43(57-8)40(26-31)51-45(54)50-39-13-14-41(37-12-10-9-11-36(37)39)61-33-15-16-47-42(30-33)49-32-27-34(56-7)29-35(28-32)60-24-23-59-22-21-58-20-19-55-6/h9-16,25-30H,17-24H2,1-8H3,(H,47,49)(H,48,53)(H2,50,51,54)
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Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256563
PNG
(US10435361, Example 62 | US9481648, 62 | US9790174...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(C)(C)C)C(N)=O)c4ccccc34)ccn2)cc(c1)C#C
Show InChI InChI=1S/C43H46N6O7/c1-6-28-21-30(41(51)46-15-16-54-19-20-55-18-17-53-5)25-32(22-28)47-39-27-34(13-14-45-39)56-38-12-11-37(35-9-7-8-10-36(35)38)49-42(52)48-33-24-29(40(44)50)23-31(26-33)43(2,3)4/h1,7-14,21-27H,15-20H2,2-5H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256521
PNG
(US10435361, Example 20 | US9481648, 20 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H48N6O9/c1-41(2,3)26-21-32(38(42)48)37(52-6)34(22-26)46-40(49)45-33-11-12-35(31-10-8-7-9-30(31)33)56-36-13-14-43-39(47-36)44-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,42,48)(H,43,44,47)(H2,45,46,49)
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DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
TBD


US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%