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Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'radimerski' and Initial = 't'   
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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549341
PNG
(CHEMBL4757361)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2CCOCC2(C)C)cc1Cl
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549337
PNG
(CHEMBL4748505)
Show SMILES COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N(C)C2CCOCC2)C#N)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355897
PNG
(1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES CC(C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12
Show InChI InChI=1S/C17H15Cl2N9O/c1-9(2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355921
PNG
((R)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)
Show SMILES COC[C@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H17Cl2N9O2/c1-10(9-31-2)16-13(8-21-15-6-14(20)27-28(15)16)26-18(30)25-11-5-12(19)17(22-7-11)29-23-3-4-24-29/h3-8,10H,9H2,1-2H3,(H2,25,26,30)/t10-/m0/s1
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355886
PNG
((S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m0/s1
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315236
PNG
((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355920
PNG
((S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)
Show SMILES COC[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H17Cl2N9O2/c1-10(9-31-2)16-13(8-21-15-6-14(20)27-28(15)16)26-18(30)25-11-5-12(19)17(22-7-11)29-23-3-4-24-29/h3-8,10H,9H2,1-2H3,(H2,25,26,30)/t10-/m1/s1
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50273330
PNG
(CHEMBL4128769)
Show SMILES Clc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H17Cl2N7O/c19-14-2-1-5-21-16(14)26-8-3-12(4-9-26)18(28)25-13-10-15(20)17(22-11-13)27-23-6-7-24-27/h1-2,5-7,10-12H,3-4,8-9H2,(H,25,28)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355878
PNG
((S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]p...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315237
PNG
(4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355928
PNG
(1-(4-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES Clc1cc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)n2n1
Show InChI InChI=1S/C17H13Cl2N9O/c18-11-5-10(7-21-16(11)28-22-3-4-23-28)24-17(29)25-12-8-20-14-6-13(19)26-27(14)15(12)9-1-2-9/h3-9H,1-2H2,(H2,24,25,29)
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TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549339
PNG
(CHEMBL4796575)
Show SMILES COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312989
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312986
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312987
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315240
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 5.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549338
PNG
(CHEMBL4765158)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549342
PNG
(CHEMBL4795909)
Show SMILES CC1(C)COCCN1c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549343
PNG
(CHEMBL4754690)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2[C@@H](C)COC[C@@H]2C)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315238
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50273344
PNG
(CHEMBL4128888)
Show SMILES Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315233
PNG
((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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n/an/a 7.30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549336
PNG
(CHEMBL4785146)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(cc3c2N(C)C2CCOCC2)C#N)cc1Cl
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312978
PNG
(7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312988
PNG
((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312985
PNG
(CHEMBL1081664 | N,N,2-trimethyl-4-(7-(4-(morpholin...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C
Show InChI InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549327
PNG
(CHEMBL4796225)
Show SMILES C[C@H]1COC[C@H](C)N1c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549327
PNG
(CHEMBL4796225)
Show SMILES C[C@H]1COC[C@H](C)N1c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355934
PNG
(1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES Clc1cc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CCOCC3)n2n1
Show InChI InChI=1S/C19H17Cl2N9O2/c20-13-7-12(9-23-18(13)30-24-3-4-25-30)26-19(31)27-14-10-22-16-8-15(21)28-29(16)17(14)11-1-5-32-6-2-11/h3-4,7-11H,1-2,5-6H2,(H2,26,27,31)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315235
PNG
((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 12.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355922
PNG
((R)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)
Show SMILES CO[C@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m1/s1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50273329
PNG
(CHEMBL4127375)
Show SMILES COc1ncc(NC(=O)C2CCN(CC2)c2ncccc2Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2N4O2/c1-25-17-14(19)9-12(10-21-17)22-16(24)11-4-7-23(8-5-11)15-13(18)3-2-6-20-15/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315239
PNG
(1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312983
PNG
(7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315241
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50555077
PNG
(CHEMBL4784806)
Show SMILES CC(C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549340
PNG
(CHEMBL4795854)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Br)nn3c2N2CCOC[C@@H]2C)cc1Cl |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355935
PNG
(1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES COCc1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12
Show InChI InChI=1S/C16H13Cl2N9O2/c1-29-8-12-11(7-19-14-5-13(18)25-26(12)14)24-16(28)23-9-4-10(17)15(20-6-9)27-21-2-3-22-27/h2-7H,8H2,1H3,(H2,23,24,28)
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM355886
PNG
((S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 in PMA-stimulated human Jurkat T cells assessed as reduction in IL2 level pretreated for 30 mins followed by PMA-stimulation meas...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315248
PNG
(4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315247
PNG
((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50273373
PNG
(CHEMBL4129385)
Show SMILES CNC(=O)c1ncn(n1)-c1ccc(NC(=O)C2CCN(CC2)c2ncccc2Cl)cc1Cl
Show InChI InChI=1S/C21H21Cl2N7O2/c1-24-21(32)18-26-12-30(28-18)17-5-4-14(11-16(17)23)27-20(31)13-6-9-29(10-7-13)19-15(22)3-2-8-25-19/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,24,32)(H,27,31)
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...

Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50312982
PNG
((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))		BDBM50549332
PNG
(CHEMBL4786633)
Show SMILES Clc1cc(NC(=O)N[C@H]2COc3ccc(Br)cc3C2)ccc1-n1cncn1 |r|
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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n/an/a 27.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay

Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
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