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Patent code US9708279

Compile Data Set for Download or QSAR
Found 100 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
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261650
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C34H38N4O3SSi/c1-34(2,3)43(5,6)21-16-24-8-7-9-27(22-24)28-23-42-33(35-28)36-31(39)30-15-14-29(41-30)25-10-12-26(13-11-25)32(40)38-19-17-37(4)18-20-38/h7-15,22-23H,17-20H2,1-6H3,(H,35,36,39)
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n/an/a 33.1n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261649
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C37H44N4O3SSi/c1-25(2)46(26(3)4,27(5)6)22-17-28-9-8-10-31(23-28)32-24-45-37(38-32)39-35(42)34-16-15-33(44-34)29-11-13-30(14-12-29)36(43)41-20-18-40(7)19-21-41/h8-16,23-27H,18-21H2,1-7H3,(H,38,39,42)
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n/an/a 44.6n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261652
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C35H27F3N4O3S/c1-41-17-19-42(20-18-41)33(44)26-13-11-25(12-14-26)30-15-16-31(45-30)32(43)40-34-39-29(22-46-34)27-7-4-5-23(21-27)9-10-24-6-2-3-8-28(24)35(36,37)38/h2-8,11-16,21-22H,17-20H2,1H3,(H,39,40,43)
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n/an/a 46.7n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261651
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C38H46N4O4SSi/c1-26(2)48(27(3)4,28(5)6)45-23-9-11-29-10-8-12-32(24-29)33-25-47-38(39-33)40-36(43)35-18-17-34(46-35)30-13-15-31(16-14-30)37(44)42-21-19-41(7)20-22-42/h8,10,12-18,24-28H,19-23H2,1-7H3,(H,39,40,43)
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n/an/a 55.6n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261671
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((triis...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C33H44N4OSSi/c1-24(2)40(25(3)4,26(5)6)20-15-27-9-8-10-30(21-27)31-23-39-33(34-31)35-32(38)29-13-11-28(12-14-29)22-37-18-16-36(7)17-19-37/h8-14,21,23-26H,16-19,22H2,1-7H3,(H,34,35,38)
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n/an/a 200n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261636
PNG
(N-(4-(3,4-bis((2-(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C40H30F6N4OS/c1-49-20-22-50(23-21-49)25-27-10-12-31(13-11-27)37(51)48-38-47-36(26-52-38)33-19-15-28(14-16-29-6-2-4-8-34(29)39(41,42)43)32(24-33)18-17-30-7-3-5-9-35(30)40(44,45)46/h2-13,15,19,24,26H,20-23,25H2,1H3,(H,47,48,51)
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n/an/a 300n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261647
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C30H38N4OSSi/c1-30(2,3)37(5,6)19-14-23-8-7-9-26(20-23)27-22-36-29(31-27)32-28(35)25-12-10-24(11-13-25)21-34-17-15-33(4)16-18-34/h7-13,20,22H,15-18,21H2,1-6H3,(H,31,32,35)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261652
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C35H27F3N4O3S/c1-41-17-19-42(20-18-41)33(44)26-13-11-25(12-14-26)30-15-16-31(45-30)32(43)40-34-39-29(22-46-34)27-7-4-5-23(21-27)9-10-24-6-2-3-8-28(24)35(36,37)38/h2-8,11-16,21-22H,17-20H2,1H3,(H,39,40,43)
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n/an/a 385n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261649
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C37H44N4O3SSi/c1-25(2)46(26(3)4,27(5)6)22-17-28-9-8-10-31(23-28)32-24-45-37(38-32)39-35(42)34-16-15-33(44-34)29-11-13-30(14-12-29)36(43)41-20-18-40(7)19-21-41/h8-16,23-27H,18-21H2,1-7H3,(H,38,39,42)
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n/an/a 420n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261650
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C34H38N4O3SSi/c1-34(2,3)43(5,6)21-16-24-8-7-9-27(22-24)28-23-42-33(35-28)36-31(39)30-15-14-29(41-30)25-10-12-26(13-11-25)32(40)38-19-17-37(4)18-20-38/h7-15,22-23H,17-20H2,1-6H3,(H,35,36,39)
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n/an/a 428n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261639
PNG
(N-(4-(3,4-bis((triisopropylsilyl)ethynyl)phenyl)th...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1C#C[Si](C(C)C)(C(C)C)C(C)C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C44H64N4OSSi2/c1-31(2)51(32(3)4,33(5)6)26-20-38-18-19-41(28-40(38)21-27-52(34(7)8,35(9)10)36(11)12)42-30-50-44(45-42)46-43(49)39-16-14-37(15-17-39)29-48-24-22-47(13)23-25-48/h14-19,28,30-36H,22-25,29H2,1-13H3,(H,45,46,49)
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n/an/a 540n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261639
PNG
(N-(4-(3,4-bis((triisopropylsilyl)ethynyl)phenyl)th...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1C#C[Si](C(C)C)(C(C)C)C(C)C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C44H64N4OSSi2/c1-31(2)51(32(3)4,33(5)6)26-20-38-18-19-41(28-40(38)21-27-52(34(7)8,35(9)10)36(11)12)42-30-50-44(45-42)46-43(49)39-16-14-37(15-17-39)29-48-24-22-47(13)23-25-48/h14-19,28,30-36H,22-25,29H2,1-13H3,(H,45,46,49)
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n/an/a 540n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261638
PNG
(N-(4-(3-methyl-4-((triisopropylsilyl)ethynyl)pheny...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-29-13-14-31(21-27(29)7)32-23-40-34(35-32)36-33(39)30-11-9-28(10-12-30)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
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n/an/a 600n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261638
PNG
(N-(4-(3-methyl-4-((triisopropylsilyl)ethynyl)pheny...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-29-13-14-31(21-27(29)7)32-23-40-34(35-32)36-33(39)30-11-9-28(10-12-30)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261644
PNG
(N-(4-(3-(3-((tert-butyldiphenylsilyl)oxy)prop-1-yn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
Show InChI InChI=1S/C41H44N4O2SSi/c1-41(2,3)49(36-16-7-5-8-17-36,37-18-9-6-10-19-37)47-28-12-14-32-13-11-15-35(29-32)38-31-48-40(42-38)43-39(46)34-22-20-33(21-23-34)30-45-26-24-44(4)25-27-45/h5-11,13,15-23,29,31H,24-28,30H2,1-4H3,(H,42,43,46)
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n/an/a 700n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261637
PNG
(N-(4-(4-methyl-3-((triisopropylsilyl)ethynyl)pheny...)
Show SMILES CC(C)[Si](C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-30-21-31(12-9-27(30)7)32-23-40-34(35-32)36-33(39)29-13-10-28(11-14-29)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
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n/an/a 710n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261653
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(3-(tri...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C44H40N4O2S/c1-47-26-28-48(29-27-47)32-35-22-24-36(25-23-35)42(49)46-43-45-41(33-51-43)37-15-11-13-34(31-37)14-12-30-50-44(38-16-5-2-6-17-38,39-18-7-3-8-19-39)40-20-9-4-10-21-40/h2-11,13,15-25,31,33H,26-30,32H2,1H3,(H,45,46,49)
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n/an/a 830n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261648
PNG
(N-(4-(3-((tert-butyldiphenylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
Show InChI InChI=1S/C40H42N4OSSi/c1-40(2,3)47(35-14-7-5-8-15-35,36-16-9-6-10-17-36)27-22-31-12-11-13-34(28-31)37-30-46-39(41-37)42-38(45)33-20-18-32(19-21-33)29-44-25-23-43(4)24-26-44/h5-21,28,30H,23-26,29H2,1-4H3,(H,41,42,45)
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n/an/a 870n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261671
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((triis...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C33H44N4OSSi/c1-24(2)40(25(3)4,26(5)6)20-15-27-9-8-10-30(21-27)31-23-39-33(34-31)35-32(38)29-13-11-28(12-14-29)22-37-18-16-36(7)17-19-37/h8-14,21,23-26H,16-19,22H2,1-7H3,(H,34,35,38)
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n/an/a 910n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261659
PNG
(N-(4-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C32H26F6N4OS/c1-41-12-14-42(15-13-41)19-22-6-10-25(11-7-22)29(43)40-30-39-28(20-44-30)24-8-4-21(5-9-24)2-3-23-16-26(31(33,34)35)18-27(17-23)32(36,37)38/h4-11,16-18,20H,12-15,19H2,1H3,(H,39,40,43)
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n/an/a 1.10E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261645
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(3-((tr...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4O2SSi/c1-25(2)42(26(3)4,27(5)6)40-21-9-11-28-10-8-12-31(22-28)32-24-41-34(35-32)36-33(39)30-15-13-29(14-16-30)23-38-19-17-37(7)18-20-38/h8,10,12-16,22,24-27H,17-21,23H2,1-7H3,(H,35,36,39)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261666
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C35H27F3N4O4S/c1-41-17-19-42(20-18-41)33(44)26-13-11-25(12-14-26)29-15-16-31(45-29)32(43)40-34-39-28(22-47-34)27-7-4-5-23(21-27)9-10-24-6-2-3-8-30(24)46-35(36,37)38/h2-8,11-16,21-22H,17-20H2,1H3,(H,39,40,43)
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n/an/a 1.30E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261637
PNG
(N-(4-(4-methyl-3-((triisopropylsilyl)ethynyl)pheny...)
Show SMILES CC(C)[Si](C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-30-21-31(12-9-27(30)7)32-23-40-34(35-32)36-33(39)29-13-10-28(11-14-29)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
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n/an/a 1.30E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261644
PNG
(N-(4-(3-(3-((tert-butyldiphenylsilyl)oxy)prop-1-yn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
Show InChI InChI=1S/C41H44N4O2SSi/c1-41(2,3)49(36-16-7-5-8-17-36,37-18-9-6-10-19-37)47-28-12-14-32-13-11-15-35(29-32)38-31-48-40(42-38)43-39(46)34-22-20-33(21-23-34)30-45-26-24-44(4)25-27-45/h5-11,13,15-23,29,31H,24-28,30H2,1-4H3,(H,42,43,46)
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n/an/a 1.50E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261647
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C30H38N4OSSi/c1-30(2,3)37(5,6)19-14-23-8-7-9-26(20-23)27-22-36-29(31-27)32-28(35)25-12-10-24(11-13-25)21-34-17-15-33(4)16-18-34/h7-13,20,22H,15-18,21H2,1-6H3,(H,31,32,35)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261640
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((triet...)
Show SMILES CC[Si](CC)(CC)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C30H38N4OSSi/c1-5-37(6-2,7-3)20-15-24-9-8-10-27(21-24)28-23-36-30(31-28)32-29(35)26-13-11-25(12-14-26)22-34-18-16-33(4)17-19-34/h8-14,21,23H,5-7,16-19,22H2,1-4H3,(H,31,32,35)
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n/an/a 1.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261635
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((2-(tr...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H27F3N4OS/c1-37-15-17-38(18-16-37)20-23-10-13-25(14-11-23)29(39)36-30-35-28(21-40-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-27(24)31(32,33)34/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,35,36,39)
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n/an/a 1.70E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261648
PNG
(N-(4-(3-((tert-butyldiphenylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
Show InChI InChI=1S/C40H42N4OSSi/c1-40(2,3)47(35-14-7-5-8-15-35,36-16-9-6-10-17-36)27-22-31-12-11-13-34(28-31)37-30-46-39(41-37)42-38(45)33-20-18-32(19-21-33)29-44-25-23-43(4)24-26-44/h5-21,28,30H,23-26,29H2,1-4H3,(H,41,42,45)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261658
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(4-((triis...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C33H44N4OSSi/c1-24(2)40(25(3)4,26(5)6)21-16-27-8-12-29(13-9-27)31-23-39-33(34-31)35-32(38)30-14-10-28(11-15-30)22-37-19-17-36(7)18-20-37/h8-15,23-26H,17-20,22H2,1-7H3,(H,34,35,38)
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n/an/a 1.90E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261630
PNG
(N-(4-(4-methyl-3-((2-(trifluoromethyl)phenyl)ethyn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4OS/c1-22-7-10-27(19-26(22)14-13-24-5-3-4-6-28(24)32(33,34)35)29-21-41-31(36-29)37-30(40)25-11-8-23(9-12-25)20-39-17-15-38(2)16-18-39/h3-12,19,21H,15-18,20H2,1-2H3,(H,36,37,40)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261659
PNG
(N-(4-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C32H26F6N4OS/c1-41-12-14-42(15-13-41)19-22-6-10-25(11-7-22)29(43)40-30-39-28(20-44-30)24-8-4-21(5-9-24)2-3-23-16-26(31(33,34)35)18-27(17-23)32(36,37)38/h4-11,16-18,20H,12-15,19H2,1H3,(H,39,40,43)
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261653
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(3-(tri...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C44H40N4O2S/c1-47-26-28-48(29-27-47)32-35-22-24-36(25-23-35)42(49)46-43-45-41(33-51-43)37-15-11-13-34(31-37)14-12-30-50-44(38-16-5-2-6-17-38,39-18-7-3-8-19-39)40-20-9-4-10-21-40/h2-11,13,15-25,31,33H,26-30,32H2,1H3,(H,45,46,49)
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n/an/a 2.10E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261660
PNG
(N-(4-(4-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#C[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C30H38N4OSSi/c1-30(2,3)37(5,6)20-15-23-7-11-25(12-8-23)27-22-36-29(31-27)32-28(35)26-13-9-24(10-14-26)21-34-18-16-33(4)17-19-34/h7-14,22H,16-19,21H2,1-6H3,(H,31,32,35)
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n/an/a 2.10E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261651
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C38H46N4O4SSi/c1-26(2)48(27(3)4,28(5)6)45-23-9-11-29-10-8-12-32(24-29)33-25-47-38(39-33)40-36(43)35-18-17-34(46-35)30-13-15-31(16-14-30)37(44)42-21-19-41(7)20-22-42/h8,10,12-18,24-28H,19-23H2,1-7H3,(H,39,40,43)
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n/an/a 2.13E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261661
PNG
(4-(morpholinomethyl)-N-(4-(3-((triisopropylsilyl)e...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C32H41N3O2SSi/c1-23(2)39(24(3)4,25(5)6)19-14-26-8-7-9-29(20-26)30-22-38-32(33-30)34-31(36)28-12-10-27(11-13-28)21-35-15-17-37-18-16-35/h7-13,20,22-25H,15-18,21H2,1-6H3,(H,33,34,36)
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n/an/a 2.30E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261634
PNG
(N-(4-(3-methyl-4-((2-(trifluoromethyl)phenyl)ethyn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(C)c2)CC1
Show InChI InChI=1S/C32H29F3N4OS/c1-22-19-27(14-12-24(22)11-13-25-5-3-4-6-28(25)32(33,34)35)29-21-41-31(36-29)37-30(40)26-9-7-23(8-10-26)20-39-17-15-38(2)16-18-39/h3-10,12,14,19,21H,15-18,20H2,1-2H3,(H,36,37,40)
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n/an/a 2.40E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261633
PNG
(N-(4-(3-methyl-4-(p-tolylethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccc(C)cc3)c(C)c2)CC1
Show InChI InChI=1S/C32H32N4OS/c1-23-4-6-25(7-5-23)8-11-27-14-15-29(20-24(27)2)30-22-38-32(33-30)34-31(37)28-12-9-26(10-13-28)21-36-18-16-35(3)17-19-36/h4-7,9-10,12-15,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 2.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261664
PNG
(N-(4-(3-((tert-butyldiphenylsilyl)ethynyl)phenyl)t...)
Show SMILES CC(C)(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H39N3O2SSi/c1-39(2,3)46(34-13-6-4-7-14-34,35-15-8-5-9-16-35)26-21-30-11-10-12-33(27-30)36-29-45-38(40-36)41-37(43)32-19-17-31(18-20-32)28-42-22-24-44-25-23-42/h4-20,27,29H,22-25,28H2,1-3H3,(H,40,41,43)
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n/an/a 2.70E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261628
PNG
(N-(4-(4-methyl-3-(p-tolylethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C32H32N4OS/c1-23-4-7-25(8-5-23)9-15-28-20-29(12-6-24(28)2)30-22-38-32(33-30)34-31(37)27-13-10-26(11-14-27)21-36-18-16-35(3)17-19-36/h4-8,10-14,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 2.70E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261673
PNG
(4-((4-(prop-2-yn-1-yl)piperazin-1-yl)methyl)-N-(4-...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(CC#C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C35H44N4OSSi/c1-8-17-38-18-20-39(21-19-38)24-30-12-14-31(15-13-30)34(40)37-35-36-33(25-41-35)32-11-9-10-29(23-32)16-22-42(26(2)3,27(4)5)28(6)7/h1,9-15,23,25-28H,17-21,24H2,2-7H3,(H,36,37,40)
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n/an/a 2.80E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261656
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C32H26F6N4OS/c1-41-11-13-42(14-12-41)19-22-7-9-24(10-8-22)29(43)40-30-39-28(20-44-30)25-4-2-3-21(15-25)5-6-23-16-26(31(33,34)35)18-27(17-23)32(36,37)38/h2-4,7-10,15-18,20H,11-14,19H2,1H3,(H,39,40,43)
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n/an/a 2.90E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261636
PNG
(N-(4-(3,4-bis((2-(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C40H30F6N4OS/c1-49-20-22-50(23-21-49)25-27-10-12-31(13-11-27)37(51)48-38-47-36(26-52-38)33-19-15-28(14-16-29-6-2-4-8-34(29)39(41,42)43)32(24-33)18-17-30-7-3-5-9-35(30)40(44,45)46/h2-13,15,19,24,26H,20-23,25H2,1H3,(H,47,48,51)
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n/an/a 3.30E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261673
PNG
(4-((4-(prop-2-yn-1-yl)piperazin-1-yl)methyl)-N-(4-...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(CC#C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C35H44N4OSSi/c1-8-17-38-18-20-39(21-19-38)24-30-12-14-31(15-13-30)34(40)37-35-36-33(25-41-35)32-11-9-10-29(23-32)16-22-42(26(2)3,27(4)5)28(6)7/h1,9-15,23,25-28H,17-21,24H2,2-7H3,(H,36,37,40)
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n/an/a 3.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261665
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((2-(tr...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C31H27F3N4O2S/c1-37-15-17-38(18-16-37)20-23-10-13-25(14-11-23)29(39)36-30-35-27(21-41-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-28(24)40-31(32,33)34/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,35,36,39)
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n/an/a 3.70E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261656
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C32H26F6N4OS/c1-41-11-13-42(14-12-41)19-22-7-9-24(10-8-22)29(43)40-30-39-28(20-44-30)25-4-2-3-21(15-25)5-6-23-16-26(31(33,34)35)18-27(17-23)32(36,37)38/h2-4,7-10,15-18,20H,11-14,19H2,1H3,(H,39,40,43)
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n/an/a 4.10E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261645
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(3-((tr...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C34H46N4O2SSi/c1-25(2)42(26(3)4,27(5)6)40-21-9-11-28-10-8-12-31(22-28)32-24-41-34(35-32)36-33(39)30-15-13-29(14-16-30)23-38-19-17-37(7)18-20-38/h8,10,12-16,22,24-27H,17-21,23H2,1-7H3,(H,35,36,39)
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n/an/a 4.20E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261663
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CC(C)(C)[Si](C)(C)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C29H35N3O2SSi/c1-29(2,3)36(4,5)18-13-22-7-6-8-25(19-22)26-21-35-28(30-26)31-27(33)24-11-9-23(10-12-24)20-32-14-16-34-17-15-32/h6-12,19,21H,14-17,20H2,1-5H3,(H,30,31,33)
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n/an/a 4.40E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261660
PNG
(N-(4-(4-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#C[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C30H38N4OSSi/c1-30(2,3)37(5,6)20-15-23-7-11-25(12-8-23)27-22-36-29(31-27)32-28(35)26-13-9-24(10-14-26)21-34-18-16-33(4)17-19-34/h7-14,22H,16-19,21H2,1-6H3,(H,31,32,35)
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n/an/a 4.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261626
PNG
(N-(4-(3-((4-methoxyphenyl)ethynyl)phenyl)thiazol-2...)
Show SMILES COc1ccc(cc1)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C31H30N4O2S/c1-34-16-18-35(19-17-34)21-25-8-12-26(13-9-25)30(36)33-31-32-29(22-38-31)27-5-3-4-24(20-27)7-6-23-10-14-28(37-2)15-11-23/h3-5,8-15,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 4.80E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261654
PNG
(N-(4-(3-((2-fluorophenyl)ethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2F)CC1
Show InChI InChI=1S/C30H27FN4OS/c1-34-15-17-35(18-16-34)20-23-10-13-25(14-11-23)29(36)33-30-32-28(21-37-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-27(24)31/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,32,33,36)
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n/an/a 5.00E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261642
PNG
(N-(4-(3-(cyclohex-1-en-1-ylethynyl)phenyl)thiazol-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CC2=CCCCC2)CC1
Show InChI InChI=1S/C30H32N4OS/c1-33-16-18-34(19-17-33)21-25-12-14-26(15-13-25)29(35)32-30-31-28(22-36-30)27-9-5-8-24(20-27)11-10-23-6-3-2-4-7-23/h5-6,8-9,12-15,20,22H,2-4,7,16-19,21H2,1H3,(H,31,32,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261624
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(phenyl...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2)CC1
Show InChI InChI=1S/C30H28N4OS/c1-33-16-18-34(19-17-33)21-25-12-14-26(15-13-25)29(35)32-30-31-28(22-36-30)27-9-5-8-24(20-27)11-10-23-6-3-2-4-7-23/h2-9,12-15,20,22H,16-19,21H2,1H3,(H,31,32,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261658
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(4-((triis...)
Show SMILES CC(C)[Si](C#Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C33H44N4OSSi/c1-24(2)40(25(3)4,26(5)6)21-16-27-8-12-29(13-9-27)31-23-39-33(34-31)35-32(38)30-14-10-28(11-15-30)22-37-19-17-36(7)18-20-37/h8-15,23-26H,17-20,22H2,1-7H3,(H,34,35,38)
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n/an/a 5.80E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261631
PNG
(N-(4-(3-((2-methoxyphenyl)ethynyl)-4-methylphenyl)...)
Show SMILES COc1ccccc1C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C32H32N4O2S/c1-23-8-11-28(20-27(23)15-14-25-6-4-5-7-30(25)38-3)29-22-39-32(33-29)34-31(37)26-12-9-24(10-13-26)21-36-18-16-35(2)17-19-36/h4-13,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 5.80E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261625
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(p-toly...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C31H30N4OS/c1-23-6-8-24(9-7-23)10-11-25-4-3-5-28(20-25)29-22-37-31(32-29)33-30(36)27-14-12-26(13-15-27)21-35-18-16-34(2)17-19-35/h3-9,12-15,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 5.80E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261629
PNG
(N-(4-(3-((4-methoxyphenyl)ethynyl)-4-methylphenyl)...)
Show SMILES COc1ccc(cc1)C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C32H32N4O2S/c1-23-4-10-28(20-27(23)13-5-24-8-14-29(38-3)15-9-24)30-22-39-32(33-30)34-31(37)26-11-6-25(7-12-26)21-36-18-16-35(2)17-19-36/h4,6-12,14-15,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 6.30E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261627
PNG
(N-(4-(4-methyl-3-(phenylethynyl)phenyl)thiazol-2-y...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2)CC1
Show InChI InChI=1S/C31H30N4OS/c1-23-8-12-28(20-27(23)15-9-24-6-4-3-5-7-24)29-22-37-31(32-29)33-30(36)26-13-10-25(11-14-26)21-35-18-16-34(2)17-19-35/h3-8,10-14,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 6.40E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261664
PNG
(N-(4-(3-((tert-butyldiphenylsilyl)ethynyl)phenyl)t...)
Show SMILES CC(C)(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H39N3O2SSi/c1-39(2,3)46(34-13-6-4-7-14-34,35-15-8-5-9-16-35)26-21-30-11-10-12-33(27-30)36-29-45-38(40-36)41-37(43)32-19-17-31(18-20-32)28-42-22-24-44-25-23-42/h4-20,27,29H,22-25,28H2,1-3H3,(H,40,41,43)
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n/an/a 7.00E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261661
PNG
(4-(morpholinomethyl)-N-(4-(3-((triisopropylsilyl)e...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C32H41N3O2SSi/c1-23(2)39(24(3)4,25(5)6)19-14-26-8-7-9-29(20-26)30-22-38-32(33-30)34-31(36)28-12-10-27(11-13-28)21-35-15-17-37-18-16-35/h7-13,20,22-25H,15-18,21H2,1-6H3,(H,33,34,36)
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n/an/a 7.00E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261632
PNG
(N-(4-(3-((4-fluorophenyl)ethynyl)-4-methylphenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C31H29FN4OS/c1-22-3-9-27(19-26(22)12-4-23-7-13-28(32)14-8-23)29-21-38-31(33-29)34-30(37)25-10-5-24(6-11-25)20-36-17-15-35(2)16-18-36/h3,5-11,13-14,19,21H,15-18,20H2,1-2H3,(H,33,34,37)
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n/an/a 8.00E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261640
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((triet...)
Show SMILES CC[Si](CC)(CC)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C30H38N4OSSi/c1-5-37(6-2,7-3)20-15-24-9-8-10-27(21-24)28-23-36-30(31-28)32-29(35)26-13-11-25(12-14-26)22-34-18-16-33(4)17-19-34/h8-14,21,23H,5-7,16-19,22H2,1-4H3,(H,31,32,35)
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n/an/a 8.60E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261654
PNG
(N-(4-(3-((2-fluorophenyl)ethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2F)CC1
Show InChI InChI=1S/C30H27FN4OS/c1-34-15-17-35(18-16-34)20-23-10-13-25(14-11-23)29(36)33-30-32-28(21-37-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-27(24)31/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,32,33,36)
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n/an/a 8.90E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261663
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CC(C)(C)[Si](C)(C)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C29H35N3O2SSi/c1-29(2,3)36(4,5)18-13-22-7-6-8-25(19-22)26-21-35-28(30-26)31-27(33)24-11-9-23(10-12-24)20-32-14-16-34-17-15-32/h6-12,19,21H,14-17,20H2,1-5H3,(H,30,31,33)
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n/an/a 9.40E+3n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261655
PNG
(N-(4-(3-((4-fluorophenyl)ethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H27FN4OS/c1-34-15-17-35(18-16-34)20-24-7-11-25(12-8-24)29(36)33-30-32-28(21-37-30)26-4-2-3-23(19-26)6-5-22-9-13-27(31)14-10-22/h2-4,7-14,19,21H,15-18,20H2,1H3,(H,32,33,36)
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n/an/a 1.10E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261635
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((2-(tr...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H27F3N4OS/c1-37-15-17-38(18-16-37)20-23-10-13-25(14-11-23)29(39)36-30-35-28(21-40-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-27(24)31(32,33)34/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,35,36,39)
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n/an/a 1.20E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261655
PNG
(N-(4-(3-((4-fluorophenyl)ethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H27FN4OS/c1-34-15-17-35(18-16-34)20-24-7-11-25(12-8-24)29(36)33-30-32-28(21-37-30)26-4-2-3-23(19-26)6-5-22-9-13-27(31)14-10-22/h2-4,7-14,19,21H,15-18,20H2,1H3,(H,32,33,36)
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n/an/a 1.50E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261633
PNG
(N-(4-(3-methyl-4-(p-tolylethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccc(C)cc3)c(C)c2)CC1
Show InChI InChI=1S/C32H32N4OS/c1-23-4-6-25(7-5-23)8-11-27-14-15-29(20-24(27)2)30-22-38-32(33-30)34-31(37)28-12-9-26(10-13-28)21-36-18-16-35(3)17-19-36/h4-7,9-10,12-15,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 1.50E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261634
PNG
(N-(4-(3-methyl-4-((2-(trifluoromethyl)phenyl)ethyn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(C)c2)CC1
Show InChI InChI=1S/C32H29F3N4OS/c1-22-19-27(14-12-24(22)11-13-25-5-3-4-6-28(25)32(33,34)35)29-21-41-31(36-29)37-30(40)26-9-7-23(8-10-26)20-39-17-15-38(2)16-18-39/h3-10,12,14,19,21H,15-18,20H2,1-2H3,(H,36,37,40)
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n/an/a 2.00E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261641
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((trime...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C)CC1
Show InChI InChI=1S/C27H32N4OSSi/c1-30-13-15-31(16-14-30)19-22-8-10-23(11-9-22)26(32)29-27-28-25(20-33-27)24-7-5-6-21(18-24)12-17-34(2,3)4/h5-11,18,20H,13-16,19H2,1-4H3,(H,28,29,32)
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n/an/a 2.10E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261631
PNG
(N-(4-(3-((2-methoxyphenyl)ethynyl)-4-methylphenyl)...)
Show SMILES COc1ccccc1C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C32H32N4O2S/c1-23-8-11-28(20-27(23)15-14-25-6-4-5-7-30(25)38-3)29-22-39-32(33-29)34-31(37)26-12-9-24(10-13-26)21-36-18-16-35(2)17-19-36/h4-13,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 2.30E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261672
PNG
(N-(4-(3-ethynylphenyl)thiazol-2-yl)-4-((4-methylpi...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C)CC1
Show InChI InChI=1S/C24H24N4OS/c1-3-18-5-4-6-21(15-18)22-17-30-24(25-22)26-23(29)20-9-7-19(8-10-20)16-28-13-11-27(2)12-14-28/h1,4-10,15,17H,11-14,16H2,2H3,(H,25,26,29)
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n/an/a 2.60E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261662
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C31H23F6N3O2S/c32-30(33,34)25-15-22(16-26(17-25)31(35,36)37)5-4-20-2-1-3-24(14-20)27-19-43-29(38-27)39-28(41)23-8-6-21(7-9-23)18-40-10-12-42-13-11-40/h1-3,6-9,14-17,19H,10-13,18H2,(H,38,39,41)
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n/an/a 2.70E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261668
PNG
(4-((1H-tetrazol-1-yl)methyl)-N-(4-(3-((triisopropy...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3cnnn3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C29H34N6OSSi/c1-20(2)38(21(3)4,22(5)6)15-14-23-8-7-9-26(16-23)27-18-37-29(31-27)32-28(36)25-12-10-24(11-13-25)17-35-19-30-33-34-35/h7-13,16,18-22H,17H2,1-6H3,(H,31,32,36)
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n/an/a 3.00E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261643
PNG
(N-(4-(3-(hex-1-yn-1-yl)phenyl)thiazol-2-yl)-4-((4-...)
Show SMILES CCCCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C28H32N4OS/c1-3-4-5-6-8-22-9-7-10-25(19-22)26-21-34-28(29-26)30-27(33)24-13-11-23(12-14-24)20-32-17-15-31(2)16-18-32/h7,9-14,19,21H,3-5,15-18,20H2,1-2H3,(H,29,30,33)
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n/an/a 3.10E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261643
PNG
(N-(4-(3-(hex-1-yn-1-yl)phenyl)thiazol-2-yl)-4-((4-...)
Show SMILES CCCCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C28H32N4OS/c1-3-4-5-6-8-22-9-7-10-25(19-22)26-21-34-28(29-26)30-27(33)24-13-11-23(12-14-24)20-32-17-15-31(2)16-18-32/h7,9-14,19,21H,3-5,15-18,20H2,1-2H3,(H,29,30,33)
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n/an/a 3.80E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261669
PNG
(4-((1H-imidazol-1-yl)methyl)-N-(4-(3-((triisopropy...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3ccnc3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4OSSi/c1-22(2)38(23(3)4,24(5)6)17-14-25-8-7-9-28(18-25)29-20-37-31(33-29)34-30(36)27-12-10-26(11-13-27)19-35-16-15-32-21-35/h7-13,15-16,18,20-24H,19H2,1-6H3,(H,33,34,36)
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n/an/a 3.90E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261641
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((trime...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C)CC1
Show InChI InChI=1S/C27H32N4OSSi/c1-30-13-15-31(16-14-30)19-22-8-10-23(11-9-22)26(32)29-27-28-25(20-33-27)24-7-5-6-21(18-24)12-17-34(2,3)4/h5-11,18,20H,13-16,19H2,1-4H3,(H,28,29,32)
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n/an/a 4.00E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261646
PNG
(N-(4-(3-(3-((tert-butyldimethylsilyl)oxy)prop-1-yn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C31H40N4O2SSi/c1-31(2,3)39(5,6)37-20-8-10-24-9-7-11-27(21-24)28-23-38-30(32-28)33-29(36)26-14-12-25(13-15-26)22-35-18-16-34(4)17-19-35/h7,9,11-15,21,23H,16-20,22H2,1-6H3,(H,32,33,36)
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n/an/a 4.50E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261626
PNG
(N-(4-(3-((4-methoxyphenyl)ethynyl)phenyl)thiazol-2...)
Show SMILES COc1ccc(cc1)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C31H30N4O2S/c1-34-16-18-35(19-17-34)21-25-8-12-26(13-9-25)30(36)33-31-32-29(22-38-31)27-5-3-4-24(20-27)7-6-23-10-14-28(37-2)15-11-23/h3-5,8-15,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 4.50E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261670
PNG
(US9708279, 47 | isopropyl 2-((4-((4-(3-((triisopro...)
Show SMILES CC(C)OC(=O)CNCc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C(C)C)(C(C)C)C(C)C
Show InChI InChI=1S/C33H43N3O3SSi/c1-22(2)39-31(37)20-34-19-27-12-14-28(15-13-27)32(38)36-33-35-30(21-40-33)29-11-9-10-26(18-29)16-17-41(23(3)4,24(5)6)25(7)8/h9-15,18,21-25,34H,19-20H2,1-8H3,(H,35,36,38)
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n/an/a 4.60E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261668
PNG
(4-((1H-tetrazol-1-yl)methyl)-N-(4-(3-((triisopropy...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3cnnn3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C29H34N6OSSi/c1-20(2)38(21(3)4,22(5)6)15-14-23-8-7-9-26(16-23)27-18-37-29(31-27)32-28(36)25-12-10-24(11-13-25)17-35-19-30-33-34-35/h7-13,16,18-22H,17H2,1-6H3,(H,31,32,36)
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n/an/a 5.00E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261627
PNG
(N-(4-(4-methyl-3-(phenylethynyl)phenyl)thiazol-2-y...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2)CC1
Show InChI InChI=1S/C31H30N4OS/c1-23-8-12-28(20-27(23)15-9-24-6-4-3-5-7-24)29-22-37-31(32-29)33-30(36)26-13-10-25(11-14-26)21-35-18-16-34(2)17-19-35/h3-8,10-14,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 5.00E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261646
PNG
(N-(4-(3-(3-((tert-butyldimethylsilyl)oxy)prop-1-yn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](C)(C)C(C)(C)C)CC1
Show InChI InChI=1S/C31H40N4O2SSi/c1-31(2,3)39(5,6)37-20-8-10-24-9-7-11-27(21-24)28-23-38-30(32-28)33-29(36)26-14-12-25(13-15-26)22-35-18-16-34(4)17-19-35/h7,9,11-15,21,23H,16-20,22H2,1-6H3,(H,32,33,36)
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n/an/a 5.10E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261669
PNG
(4-((1H-imidazol-1-yl)methyl)-N-(4-(3-((triisopropy...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3ccnc3)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4OSSi/c1-22(2)38(23(3)4,24(5)6)17-14-25-8-7-9-28(18-25)29-20-37-31(33-29)34-30(36)27-12-10-26(11-13-27)19-35-16-15-32-21-35/h7-13,15-16,18,20-24H,19H2,1-6H3,(H,33,34,36)
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n/an/a 5.20E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261665
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((2-(tr...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C31H27F3N4O2S/c1-37-15-17-38(18-16-37)20-23-10-13-25(14-11-23)29(39)36-30-35-27(21-41-30)26-7-4-5-22(19-26)9-12-24-6-2-3-8-28(24)40-31(32,33)34/h2-8,10-11,13-14,19,21H,15-18,20H2,1H3,(H,35,36,39)
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n/an/a 5.30E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261630
PNG
(N-(4-(4-methyl-3-((2-(trifluoromethyl)phenyl)ethyn...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4OS/c1-22-7-10-27(19-26(22)14-13-24-5-3-4-6-28(24)32(33,34)35)29-21-41-31(36-29)37-30(40)25-11-8-23(9-12-25)20-39-17-15-38(2)16-18-39/h3-12,19,21H,15-18,20H2,1-2H3,(H,36,37,40)
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n/an/a 5.40E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261667
PNG
(4-(((2-(dimethylamino)ethyl)amino)methyl)-N-(4-(3-...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CNCCN(C)C)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C32H44N4OSSi/c1-23(2)39(24(3)4,25(5)6)19-16-26-10-9-11-29(20-26)30-22-38-32(34-30)35-31(37)28-14-12-27(13-15-28)21-33-17-18-36(7)8/h9-15,20,22-25,33H,17-18,21H2,1-8H3,(H,34,35,37)
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n/an/a 6.50E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261624
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(phenyl...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2)CC1
Show InChI InChI=1S/C30H28N4OS/c1-33-16-18-34(19-17-33)21-25-12-14-26(15-13-25)29(35)32-30-31-28(22-36-30)27-9-5-8-24(20-27)11-10-23-6-3-2-4-7-23/h2-9,12-15,20,22H,16-19,21H2,1H3,(H,31,32,35)
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n/an/a 7.10E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261642
PNG
(N-(4-(3-(cyclohex-1-en-1-ylethynyl)phenyl)thiazol-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CC2=CCCCC2)CC1
Show InChI InChI=1S/C30H32N4OS/c1-33-16-18-34(19-17-33)21-25-12-14-26(15-13-25)29(35)32-30-31-28(22-36-30)27-9-5-8-24(20-27)11-10-23-6-3-2-4-7-23/h5-6,8-9,12-15,20,22H,2-4,7,16-19,21H2,1H3,(H,31,32,35)
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n/an/a 7.60E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261625
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-(p-toly...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C31H30N4OS/c1-23-6-8-24(9-7-23)10-11-25-4-3-5-28(20-25)29-22-37-31(32-29)33-30(36)27-14-12-26(13-15-27)21-35-18-16-34(2)17-19-35/h3-9,12-15,20,22H,16-19,21H2,1-2H3,(H,32,33,36)
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n/an/a 8.20E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261628
PNG
(N-(4-(4-methyl-3-(p-tolylethynyl)phenyl)thiazol-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C32H32N4OS/c1-23-4-7-25(8-5-23)9-15-28-20-29(12-6-24(28)2)30-22-38-32(33-30)34-31(37)27-13-10-26(11-14-27)21-36-18-16-35(3)17-19-36/h4-8,10-14,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a 8.30E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261672
PNG
(N-(4-(3-ethynylphenyl)thiazol-2-yl)-4-((4-methylpi...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C)CC1
Show InChI InChI=1S/C24H24N4OS/c1-3-18-5-4-6-21(15-18)22-17-30-24(25-22)26-23(29)20-9-7-19(8-10-20)16-28-13-11-27(2)12-14-28/h1,4-10,15,17H,11-14,16H2,2H3,(H,25,26,29)
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n/an/a 9.90E+4n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261666
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C35H27F3N4O4S/c1-41-17-19-42(20-18-41)33(44)26-13-11-25(12-14-26)29-15-16-31(45-29)32(43)40-34-39-28(22-47-34)27-7-4-5-23(21-27)9-10-24-6-2-3-8-30(24)46-35(36,37)38/h2-8,11-16,21-22H,17-20H2,1H3,(H,39,40,43)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261662
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
Show InChI InChI=1S/C31H23F6N3O2S/c32-30(33,34)25-15-22(16-26(17-25)31(35,36)37)5-4-20-2-1-3-24(14-20)27-19-43-29(38-27)39-28(41)23-8-6-21(7-9-23)18-40-10-12-42-13-11-40/h1-3,6-9,14-17,19H,10-13,18H2,(H,38,39,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261632
PNG
(N-(4-(3-((4-fluorophenyl)ethynyl)-4-methylphenyl)t...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C31H29FN4OS/c1-22-3-9-27(19-26(22)12-4-23-7-13-28(32)14-8-23)29-21-38-31(33-29)34-30(37)25-10-5-24(6-11-25)20-36-17-15-35(2)16-18-36/h3,5-11,13-14,19,21H,15-18,20H2,1-2H3,(H,33,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261629
PNG
(N-(4-(3-((4-methoxyphenyl)ethynyl)-4-methylphenyl)...)
Show SMILES COc1ccc(cc1)C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
Show InChI InChI=1S/C32H32N4O2S/c1-23-4-10-28(20-27(23)13-5-24-8-14-29(38-3)15-9-24)30-22-39-32(33-30)34-31(37)26-11-6-25(7-12-26)21-36-18-16-35(2)17-19-36/h4,6-12,14-15,20,22H,16-19,21H2,1-3H3,(H,33,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261657
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C36H26F6N4O3S/c1-45-13-15-46(16-14-45)33(48)25-9-7-24(8-10-25)30-11-12-31(49-30)32(47)44-34-43-29(21-50-34)26-4-2-3-22(17-26)5-6-23-18-27(35(37,38)39)20-28(19-23)36(40,41)42/h2-4,7-12,17-21H,13-16H2,1H3,(H,43,44,47)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261657
PNG
(N-(4-(3-((3,5-bis(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C36H26F6N4O3S/c1-45-13-15-46(16-14-45)33(48)25-9-7-24(8-10-25)30-11-12-31(49-30)32(47)44-34-43-29(21-50-34)26-4-2-3-22(17-26)5-6-23-18-27(35(37,38)39)20-28(19-23)36(40,41)42/h2-4,7-12,17-21H,13-16H2,1H3,(H,43,44,47)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261670
PNG
(US9708279, 47 | isopropyl 2-((4-((4-(3-((triisopro...)
Show SMILES CC(C)OC(=O)CNCc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C(C)C)(C(C)C)C(C)C
Show InChI InChI=1S/C33H43N3O3SSi/c1-22(2)39-31(37)20-34-19-27-12-14-28(15-13-27)32(38)36-33-35-30(21-40-33)29-11-9-10-26(18-29)16-17-41(23(3)4,24(5)6)25(7)8/h9-15,18,21-25,34H,19-20H2,1-8H3,(H,35,36,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261667
PNG
(4-(((2-(dimethylamino)ethyl)amino)methyl)-N-(4-(3-...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CNCCN(C)C)cc2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C32H44N4OSSi/c1-23(2)39(24(3)4,25(5)6)19-16-26-10-9-11-29(20-26)30-22-38-32(34-30)35-31(37)28-14-12-27(13-15-28)21-33-17-18-36(7)8/h9-15,20,22-25,33H,17-18,21H2,1-8H3,(H,34,35,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)

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