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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'gambacorti-passerini' and Initial = 'c'   
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/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a>1n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>1n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 25n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
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))
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/a7.525



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)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q2MC921P
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 (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/a7.525



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)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q2MC921P
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/a7.525



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)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q2MC921P
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))
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))
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/a7.525



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)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q2MC921P
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 97n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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 (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))
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))
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))
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 (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))
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


(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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 160n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 170n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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 (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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n/an/a 180n/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))
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 200n/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))
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/a7.525



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)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q2MC921P
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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n/an/a 200n/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))
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307129
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-7-6-10-19-21(14)18(22(25)23-19)13-15-11-12-20(24(2)3)17-9-5-4-8-16(15)17/h4-13H,1-3H3,(H,23,25)/b18-13-
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n/an/a 210n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
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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n/an/a 250n/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))
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
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