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Compile Data Set for Download or QSAR

Found 17 hits of ec50 for UniProtKB: A0A024R7M7   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635 | US10487083, Example C | US10703751...)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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US Patent
n/an/an/an/a 13.1n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50508386
PNG
(CHEMBL4450627)
Show SMILES [O-][N+](=O)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H21N5O5/c1-2-21(31)29-11-9-28(10-12-29)15-7-8-20(30(34)35)17(13-15)22-23(25(33)27-24(22)32)18-14-26-19-6-4-3-5-16(18)19/h2-8,13-14,26H,1,9-12H2,(H,27,32,33)
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n/an/an/an/a 141n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL15-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL15 stimulati...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274586
PNG
(CHEMBL4128181)
Show SMILES CN(C)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/an/an/a 237n/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK3 (unknown origin) expressed in HEK cells by NanoBRET assay


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274583
PNG
(CHEMBL4125861)
Show SMILES CN1CCN(CC1)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
Show InChI InChI=1S/C27H29N7O2/c1-32-11-13-33(14-12-32)27(35)18(16-28)15-20-7-8-23(36-20)26-31-22-17-30-25-21(9-10-29-25)24(22)34(26)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,29,30)/b18-15+
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n/an/an/an/a 257n/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK3 (unknown origin) expressed in HEK cells by NanoBRET assay


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50508386
PNG
(CHEMBL4450627)
Show SMILES [O-][N+](=O)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H21N5O5/c1-2-21(31)29-11-9-28(10-12-29)15-7-8-20(30(34)35)17(13-15)22-23(25(33)27-24(22)32)18-14-26-19-6-4-3-5-16(18)19/h2-8,13-14,26H,1,9-12H2,(H,27,32,33)
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n/an/an/an/a 305n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL2-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL2 stimulation...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274584
PNG
(CHEMBL4125719)
Show SMILES N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
Show InChI InChI=1S/C22H18N6O/c23-11-14(12-24)10-16-6-7-19(29-16)22-27-18-13-26-21-17(8-9-25-21)20(18)28(22)15-4-2-1-3-5-15/h6-10,13,15H,1-5H2,(H,25,26)
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n/an/an/an/a 678n/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK3 (unknown origin) expressed in HEK cells by NanoBRET assay


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449883
PNG
(US10703751, Example 641 of WO2011086053)
Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
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n/an/an/an/a 739n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274605
PNG
(CHEMBL4128266)
Show SMILES N#C\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+
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n/an/an/an/a 740n/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK3 (unknown origin) expressed in HEK cells by NanoBRET assay


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449881
PNG
(US10703751, Example 7 | cis-2-[4-[2-[(1R)-1-Hydrox...)
Show SMILES CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13+/m1/s1
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n/an/an/an/a 1.01E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50335231
PNG
(3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1...)
Show SMILES CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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n/an/an/an/a 1.04E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL15-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL15 stimulati...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449876
PNG
(US10703751, Example 2 | US10703751, Example 3 | tr...)
Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50335231
PNG
(3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1...)
Show SMILES CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL2-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL2 stimulation...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449878
PNG
(US10703751, Example 4 | trans-2-[4-[2-[(1R)-1-Hydr...)
Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1
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n/an/an/an/a 2.31E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449880
PNG
(US10703751, Example 6 | cis-2-[4-[2-[1-Hydroxyethy...)
Show SMILES CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13+
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n/an/an/an/a 2.87E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449875
PNG
(US10703751, Example 1 | US10703751, Example 5 | tr...)
Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13-
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n/an/an/an/a 3.20E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449875
PNG
(US10703751, Example 1 | US10703751, Example 5 | tr...)
Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13-
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n/an/an/an/a 5.26E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM449876
PNG
(US10703751, Example 2 | US10703751, Example 3 | tr...)
Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O
Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1
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n/an/an/an/a 9.82E+3n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...


US Patent US10703751 (2020)

More data for this
Ligand-Target Pair