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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'orsato' and Initial = 'a'   
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))
BDBM245258
PNG
(US9428500, 52)
Show SMILES COc1cc(c(OC)cc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C37H36N4O2/c1-40-17-19-41(20-18-40)29-12-9-26(10-13-29)27-11-14-33-32(22-27)36-30(15-16-38-37(36)39-33)31-24-34(42-2)28(23-35(31)43-3)21-25-7-5-4-6-8-25/h4-16,22-24H,17-21H2,1-3H3,(H,38,39)
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n/an/a 22n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245264
PNG
(US9428500, 58)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
Show InChI InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
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n/an/a 32n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245222
PNG
(US9428500, 16)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
Show InChI InChI=1S/C35H32N4/c1-38-19-21-39(22-20-38)30-14-11-27(12-15-30)29-13-16-33-32(24-29)34-31(17-18-36-35(34)37-33)28-9-7-26(8-10-28)23-25-5-3-2-4-6-25/h2-18,24H,19-23H2,1H3,(H,36,37)
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n/an/a 40n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/s2
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n/an/a 51n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...


Bioorg Med Chem 22: 1303-12 (2014)


Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245230
PNG
(US9428500, 24)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4cccc5ccccc45)c3c2c1
Show InChI InChI=1S/C38H32N4/c1-41-21-23-42(24-22-41)31-16-13-26(14-17-31)30-15-18-36-35(25-30)37-34(19-20-39-38(37)40-36)29-11-9-28(10-12-29)33-8-4-6-27-5-2-3-7-32(27)33/h2-20,25H,21-24H2,1H3,(H,39,40)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245218
PNG
(US9428500, 12)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245230
PNG
(US9428500, 24)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4cccc5ccccc45)c3c2c1
Show InChI InChI=1S/C38H32N4/c1-41-21-23-42(24-22-41)31-16-13-26(14-17-31)30-15-18-36-35(25-30)37-34(19-20-39-38(37)40-36)29-11-9-28(10-12-29)33-8-4-6-27-5-2-3-7-32(27)33/h2-20,25H,21-24H2,1H3,(H,39,40)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 56n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...


Bioorg Med Chem 22: 1303-12 (2014)


Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
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n/an/a 91n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245216
PNG
(US9428500, 10)
Show SMILES COc1ccccc1\C=C\c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 110n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245218
PNG
(US9428500, 12)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)
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n/an/a 110n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245220
PNG
(US9428500, 14)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+
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n/an/a 120n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245246
PNG
(US9428500, 40)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H25FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h3-4,6-15,20H,16-19H2,1H3,(H,32,33)
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n/an/a 130n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245243
PNG
(US9428500, 37)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H26N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-6,9-16,21H,17-20H2,1H3,(H,31,32)
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n/an/a 130n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245247
PNG
(US9428500, 41)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4F)c3c2c1
Show InChI InChI=1S/C30H25FN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-5,8-15,20H,16-19H2,1H3,(H,32,33)
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n/an/a 140n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245223
PNG
(US9428500, 17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)
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n/an/a 140n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245229
PNG
(US9428500, 23)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(=O)c4ccccc4)c3c2c1
Show InChI InChI=1S/C35H30N4O/c1-38-19-21-39(22-20-38)29-14-11-24(12-15-29)28-13-16-32-31(23-28)33-30(17-18-36-35(33)37-32)25-7-9-27(10-8-25)34(40)26-5-3-2-4-6-26/h2-18,23H,19-22H2,1H3,(H,36,37)
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n/an/a 150n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245224
PNG
(US9428500, 18)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4F)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-15,20H,16-19H2,1H3,(H,32,33)/b7-6+
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n/an/a 150n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245235
PNG
(US9428500, 29)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C31H31N5O2S/c1-35-17-19-36(20-18-35)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-32-31(30)33-29)8-7-23-5-3-4-6-28(23)34-39(2,37)38/h3-16,21,34H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 160n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245234
PNG
(US9428500, 28)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C31H30N4/c1-22(20-23-6-4-3-5-7-23)27-14-15-32-31-30(27)28-21-25(10-13-29(28)33-31)24-8-11-26(12-9-24)35-18-16-34(2)17-19-35/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)/b22-20+
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n/an/a 160n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245217
PNG
(US9428500, 11)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+
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n/an/a 160n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245213
PNG
(US9428500, 7)
Show SMILES COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-10-7-23(8-11-26)25-9-14-29-28(21-25)30-24(15-16-32-31(30)33-29)6-3-22-4-12-27(36-2)13-5-22/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b6-3+
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n/an/a 170n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245243
PNG
(US9428500, 37)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H26N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-6,9-16,21H,17-20H2,1H3,(H,31,32)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245240
PNG
(US9428500, 34 | US9428500, 35)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
Show InChI InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245264
PNG
(US9428500, 58)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
Show InChI InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245222
PNG
(US9428500, 16)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
Show InChI InChI=1S/C35H32N4/c1-38-19-21-39(22-20-38)30-14-11-27(12-15-30)29-13-16-33-32(24-29)34-31(17-18-36-35(34)37-33)28-9-7-26(8-10-28)23-25-5-3-2-4-6-25/h2-18,24H,19-23H2,1H3,(H,36,37)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245223
PNG
(US9428500, 17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)
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n/an/a 210n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245239
PNG
(US9428500, 33)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(O)c4ccccc4)c3c2c1
Show InChI InChI=1/C35H32N4O/c1-38-19-21-39(22-20-38)29-14-11-24(12-15-29)28-13-16-32-31(23-28)33-30(17-18-36-35(33)37-32)25-7-9-27(10-8-25)34(40)26-5-3-2-4-6-26/h2-18,23,34,40H,19-22H2,1H3,(H,36,37)
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n/an/a 230n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245212
PNG
(US9428500, 6)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4cccc(F)c4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-15-17-35(18-16-34)26-10-7-22(8-11-26)24-9-12-28-27(20-24)29-23(13-14-32-30(29)33-28)6-5-21-3-2-4-25(31)19-21/h2-14,19-20H,15-18H2,1H3,(H,32,33)/b6-5+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245217
PNG
(US9428500, 11)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+
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n/an/a 260n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245234
PNG
(US9428500, 28)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C31H30N4/c1-22(20-23-6-4-3-5-7-23)27-14-15-32-31-30(27)28-21-25(10-13-29(28)33-31)24-8-11-26(12-9-24)35-18-16-34(2)17-19-35/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)/b22-20+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245245
PNG
(US9428500, 39)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H25F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-5,8-15,20H,16-19H2,1H3,(H,35,36)
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n/an/a 270n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245220
PNG
(US9428500, 14)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+
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n/an/a 280n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245235
PNG
(US9428500, 29)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C31H31N5O2S/c1-35-17-19-36(20-18-35)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-32-31(30)33-29)8-7-23-5-3-4-6-28(23)34-39(2,37)38/h3-16,21,34H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 280n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245248
PNG
(US9428500, 42)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4Cl)c3c2c1
Show InChI InChI=1S/C30H25ClN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-5,8-15,20H,16-19H2,1H3,(H,32,33)
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n/an/a 290n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245244
PNG
(US9428500, 38)
Show SMILES COc1ccccc1C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H28N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-6,9-16,21H,17-20H2,1-2H3,(H,32,33)
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n/an/a 290n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245258
PNG
(US9428500, 52)
Show SMILES COc1cc(c(OC)cc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C37H36N4O2/c1-40-17-19-41(20-18-40)29-12-9-26(10-13-29)27-11-14-33-32(22-27)36-30(15-16-38-37(36)39-33)31-24-34(42-2)28(23-35(31)43-3)21-25-7-5-4-6-8-25/h4-16,22-24H,17-21H2,1-3H3,(H,38,39)
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n/an/a 310n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245225
PNG
(US9428500, 19)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4Cl)c3c2c1
Show InChI InChI=1S/C30H27ClN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-15,20H,16-19H2,1H3,(H,32,33)/b7-6+
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n/an/a 320n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245212
PNG
(US9428500, 6)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4cccc(F)c4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-15-17-35(18-16-34)26-10-7-22(8-11-26)24-9-12-28-27(20-24)29-23(13-14-32-30(29)33-28)6-5-21-3-2-4-25(31)19-21/h2-14,19-20H,15-18H2,1H3,(H,32,33)/b6-5+
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n/an/a 320n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245216
PNG
(US9428500, 10)
Show SMILES COc1ccccc1\C=C\c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 320n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM50448037
PNG
(CHEMBL3115500)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1
Show InChI InChI=1S/C32H35N7/c1-35-13-17-37(18-14-35)27-8-3-24(4-9-27)26-7-12-29-30(21-26)39-31(22-33-23-32(39)34-29)25-5-10-28(11-6-25)38-19-15-36(2)16-20-38/h3-12,21-23H,13-20H2,1-2H3
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Article
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n/an/a 340n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...


Bioorg Med Chem 22: 1303-12 (2014)


Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245210
PNG
(US9428500, 4)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C29H27N5/c1-33-15-17-34(18-16-33)27-12-10-24(20-31-27)23-9-11-26-25(19-23)28-22(13-14-30-29(28)32-26)8-7-21-5-3-2-4-6-21/h2-14,19-20H,15-18H2,1H3,(H,30,32)/b8-7+
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n/an/a 350n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245215
PNG
(US9428500, 9)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5cccc(c5)C(F)(F)F)cc4)c3c2c1
Show InChI InChI=1S/C36H31F3N4O/c1-42-17-19-43(20-18-42)29-12-9-25(10-13-29)27-11-14-33-32(21-27)34-31(15-16-40-35(34)41-33)26-7-5-24(6-8-26)23-44-30-4-2-3-28(22-30)36(37,38)39/h2-16,21-22H,17-20,23H2,1H3,(H,40,41)
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n/an/a 350n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245210
PNG
(US9428500, 4)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C29H27N5/c1-33-15-17-34(18-16-33)27-12-10-24(20-31-27)23-9-11-26-25(19-23)28-22(13-14-30-29(28)32-26)8-7-21-5-3-2-4-6-21/h2-14,19-20H,15-18H2,1H3,(H,30,32)/b8-7+
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n/an/a 350n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
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n/an/a 370n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245221
PNG
(US9428500, 15)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4F)-c4ccccc4)c3c2c1
Show InChI InChI=1S/C34H29FN4/c1-38-17-19-39(20-18-38)27-11-7-24(8-12-27)25-10-14-32-30(21-25)33-29(15-16-36-34(33)37-32)28-13-9-26(22-31(28)35)23-5-3-2-4-6-23/h2-16,21-22H,17-20H2,1H3,(H,36,37)
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n/an/a 390n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245224
PNG
(US9428500, 18)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4F)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-15,20H,16-19H2,1H3,(H,32,33)/b7-6+
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n/an/a 460n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245208
PNG
(US9428500, 2)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C30H28N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-16,21H,17-20H2,1H3,(H,31,32)/b8-7+
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n/an/a 500n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245232
PNG
(US9428500, 26)
Show SMILES COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1
Show InChI InChI=1S/C37H36N4O2/c1-40-18-20-41(21-19-40)30-12-8-26(9-13-30)28-11-15-34-33(23-28)36-32(16-17-38-37(36)39-34)27-6-4-25(5-7-27)22-29-10-14-31(42-2)24-35(29)43-3/h4-17,23-24H,18-22H2,1-3H3,(H,38,39)
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n/an/a 520n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245240
PNG
(US9428500, 34 | US9428500, 35)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
Show InChI InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)
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n/an/a 560n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

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 US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
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