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Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'carrier' and Initial = 's'   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332992
PNG
(US10196390, Compound I-281)
Show SMILES Fc1cccc(C#N)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C23H19FN6O2/c24-16-3-1-2-14(11-25)21(16)17-10-18(22-19(28-17)13-27-23(22)31)29-20-5-4-15(12-26-20)30-6-8-32-9-7-30/h1-5,10,12H,6-9,13H2,(H,27,31)(H,26,28,29)
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0.0510n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332893
PNG
(US10196390, Compound I-182)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCC(F)(F)CC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C23H19F4N5O/c24-14-2-1-3-15(25)20(14)16-10-17(21-18(30-16)12-29-22(21)33)31-19-5-4-13(11-28-19)32-8-6-23(26,27)7-9-32/h1-5,10-11H,6-9,12H2,(H,29,33)(H,28,30,31)
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0.0810n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332847
PNG
(US10196390, Compound I-136)
Show SMILES CCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C21H17F2N5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,25,27,28)
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0.150n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589369
PNG
(CHEMBL5197513)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)C(=O)N2CCCC2)c2C(=O)NCc2n1
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0.190n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332858
PNG
(US10196390, Compound I-147)
Show SMILES OC1CCN(CC1)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H21F2N5O2/c24-15-2-1-3-16(25)21(15)17-10-18(22-19(28-17)12-27-23(22)32)29-20-5-4-13(11-26-20)30-8-6-14(31)7-9-30/h1-5,10-11,14,31H,6-9,12H2,(H,27,32)(H,26,28,29)
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0.210n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332993
PNG
(US10196390, Compound I-282)
Show SMILES CCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2C#N)nc1
Show InChI InChI=1S/C22H17FN6O2/c1-2-25-21(30)13-6-7-18(26-10-13)29-16-8-15(28-17-11-27-22(31)20(16)17)19-12(9-24)4-3-5-14(19)23/h3-8,10H,2,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29)
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0.230n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM490686
PNG
(US10968236, Compound I-14)
Show SMILES CCNC(=O)C(C)(O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C23H21F2N5O3/c1-3-26-22(32)23(2,33)12-7-9-13(10-8-12)28-20-18-16(11-27-21(18)31)29-19(30-20)17-14(24)5-4-6-15(17)25/h4-10,33H,3,11H2,1-2H3,(H,26,32)(H,27,31)(H,28,29,30)
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0.240n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM490686
PNG
(US10968236, Compound I-14)
Show SMILES CCNC(=O)C(C)(O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C23H21F2N5O3/c1-3-26-22(32)23(2,33)12-7-9-13(10-8-12)28-20-18-16(11-27-21(18)31)29-19(30-20)17-14(24)5-4-6-15(17)25/h4-10,33H,3,11H2,1-2H3,(H,26,32)(H,27,31)(H,28,29,30)
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0.240n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332959
PNG
(US10196390, Compound I-248)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2=O)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H17F2N5O3/c23-13-2-1-3-14(24)20(13)15-8-16(21-17(27-15)10-26-22(21)31)28-18-5-4-12(9-25-18)29-6-7-32-11-19(29)30/h1-5,8-9H,6-7,10-11H2,(H,26,31)(H,25,27,28)
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0.340n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332942
PNG
(US10196390, Compound I-231 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)
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0.350n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
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0.360n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589370
PNG
(CHEMBL5182922)
Show SMILES O[C@H]1CCN(C1)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
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0.370n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM406663
PNG
(US10336752, Compound 1 | US10336752, Compound 2 | ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)
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0.510n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332923
PNG
(US10196390, Compound I-212)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C23H19F2N5O3/c24-14-2-1-3-15(25)20(14)16-10-17(21-18(28-16)12-27-22(21)31)29-19-5-4-13(11-26-19)23(32)30-6-8-33-9-7-30/h1-5,10-11H,6-9,12H2,(H,27,31)(H,26,28,29)
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0.830n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589368
PNG
(CHEMBL5182121)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(cc2)C2CCNC2=O)n1
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0.850n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589368
PNG
(CHEMBL5182121)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(cc2)C2CCNC2=O)n1
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0.850n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332805
PNG
(US10196390, Compound I-78)
Show SMILES FC(F)CN1CCN(CC1)C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C26H24F4N6O2/c27-17-2-1-3-18(28)22(17)24-33-19-13-31-26(38)23(19)25(34-24)32-16-6-4-15(5-7-16)12-21(37)36-10-8-35(9-11-36)14-20(29)30/h1-7,20H,8-14H2,(H,31,38)(H,32,33,34)
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0.970n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332857
PNG
(US10196390, Compound I-146)
Show SMILES CCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2Cl)nc1
Show InChI InChI=1S/C21H17ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,25,27,28)
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1.10n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332816
PNG
(US10196390, Compound I-88)
Show SMILES CCNC(=O)Cc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C22H19F2N5O2/c1-2-25-19(30)8-12-6-7-18(26-10-12)29-16-9-15(20-13(23)4-3-5-14(20)24)28-17-11-27-22(31)21(16)17/h3-7,9-10H,2,8,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29)
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1.30n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332864
PNG
(US10196390, Compound I-153)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(cc2)C2CCCNC2=O)n1
Show InChI InChI=1S/C23H19F2N5O2/c24-15-4-1-5-16(25)18(15)20-29-17-11-27-23(32)19(17)21(30-20)28-13-8-6-12(7-9-13)14-3-2-10-26-22(14)31/h1,4-9,14H,2-3,10-11H2,(H,26,31)(H,27,32)(H,28,29,30)
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1.60n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332864
PNG
(US10196390, Compound I-153)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(cc2)C2CCCNC2=O)n1
Show InChI InChI=1S/C23H19F2N5O2/c24-15-4-1-5-16(25)18(15)20-29-17-11-27-23(32)19(17)21(30-20)28-13-8-6-12(7-9-13)14-3-2-10-26-22(14)31/h1,4-9,14H,2-3,10-11H2,(H,26,31)(H,27,32)(H,28,29,30)
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1.60n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332794
PNG
(US10196390, Compound I-67)
Show SMILES CN1CCN(CC1)C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C25H24F2N6O2/c1-32-9-11-33(12-10-32)20(34)13-15-5-7-16(8-6-15)29-24-22-19(14-28-25(22)35)30-23(31-24)21-17(26)3-2-4-18(21)27/h2-8H,9-14H2,1H3,(H,28,35)(H,29,30,31)
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1.80n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589366
PNG
(CHEMBL5203504)
Show SMILES CC(C)c1nc(Nc2ccc(cc2)C(O)=O)c2c(cc[nH]c2=O)n1
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3.30n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332793
PNG
(US10196390, Compound I-66)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N3CCOCC3)cc2)n1
Show InChI InChI=1S/C24H21F2N5O3/c25-16-2-1-3-17(26)20(16)22-29-18-13-27-24(33)21(18)23(30-22)28-15-6-4-14(5-7-15)12-19(32)31-8-10-34-11-9-31/h1-7H,8-13H2,(H,27,33)(H,28,29,30)
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5.10n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50378535
PNG
(CHEMBL1204012)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589367
PNG
(CHEMBL5170799)
Show SMILES NC(=O)c1cnc(nc1Nc1ccc(CC(O)=O)cc1)-c1c(F)cccc1F
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7.10n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332807
PNG
(US10196390, Compound I-80)
Show SMILES CCNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C22H19F2N5O2/c1-2-25-17(30)10-12-6-8-13(9-7-12)27-21-19-16(11-26-22(19)31)28-20(29-21)18-14(23)4-3-5-15(18)24/h3-9H,2,10-11H2,1H3,(H,25,30)(H,26,31)(H,27,28,29)
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7.80n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332820
PNG
(US10196390, Compound I-110)
Show SMILES COc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
Show InChI InChI=1S/C19H14F2N4O2/c1-27-11-7-5-10(6-8-11)23-18-16-14(9-22-19(16)26)24-17(25-18)15-12(20)3-2-4-13(15)21/h2-8H,9H2,1H3,(H,22,26)(H,23,24,25)
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8.60n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50303076
PNG
((R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)p...)
Show SMILES CC(C)[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-12(2)18(13-4-6-14(21)7-5-13)26-16-10-15(24-11-25-16)17-19(22)27-28-9-3-8-23-20(17)28/h3-12,18H,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m1/s1
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50378535
PNG
(CHEMBL1204012)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50589365
PNG
(CHEMBL5196418)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1
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1.00E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303070
PNG
((R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4...)
Show SMILES C[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303075
PNG
((R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4...)
Show SMILES CCC[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-2-4-15(13-5-7-14(21)8-6-13)26-17-11-16(24-12-25-17)18-19(22)27-28-10-3-9-23-20(18)28/h3,5-12,15H,2,4H2,1H3,(H2,22,27)(H,24,25,26)/t15-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303076
PNG
((R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)p...)
Show SMILES CC(C)[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-12(2)18(13-4-6-14(21)7-5-13)26-16-10-15(24-11-25-16)17-19(22)27-28-9-3-8-23-20(17)28/h3-12,18H,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303074
PNG
((R)-3-(6-(1-(4-fluorophenyl)propylamino)pyrimidin-...)
Show SMILES CC[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H18FN7/c1-2-14(12-4-6-13(20)7-5-12)25-16-10-15(23-11-24-16)17-18(21)26-27-9-3-8-22-19(17)27/h3-11,14H,2H2,1H3,(H2,21,26)(H,23,24,25)/t14-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303065
PNG
(3-(6-(4-chlorobenzylamino)pyrimidin-4-yl)pyrazolo[...)
Show SMILES Nc1nn2cccnc2c1-c1cc(NCc2ccc(Cl)cc2)ncn1
Show InChI InChI=1S/C17H14ClN7/c18-12-4-2-11(3-5-12)9-21-14-8-13(22-10-23-14)15-16(19)24-25-7-1-6-20-17(15)25/h1-8,10H,9H2,(H2,19,24)(H,21,22,23)
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n/an/a 1.40n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303067
PNG
((R)-3-(6-(1-phenylethylamino)pyrimidin-4-yl)pyrazo...)
Show SMILES C[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N7/c1-12(13-6-3-2-4-7-13)23-15-10-14(21-11-22-15)16-17(19)24-25-9-5-8-20-18(16)25/h2-12H,1H3,(H2,19,24)(H,21,22,23)/t12-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303064
PNG
(3-(6-(4-fluorobenzylamino)pyrimidin-4-yl)pyrazolo[...)
Show SMILES Nc1nn2cccnc2c1-c1cc(NCc2ccc(F)cc2)ncn1
Show InChI InChI=1S/C17H14FN7/c18-12-4-2-11(3-5-12)9-21-14-8-13(22-10-23-14)15-16(19)24-25-7-1-6-20-17(15)25/h1-8,10H,9H2,(H2,19,24)(H,21,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303057
PNG
(1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimid...)
Show SMILES CCCN(CC(F)(F)F)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C21H25F3N8O/c1-2-7-31(12-21(22,23)24)20(33)14-5-3-8-30(11-14)16-10-15(27-13-28-16)17-18(25)29-32-9-4-6-26-19(17)32/h4,6,9-10,13-14H,2-3,5,7-8,11-12H2,1H3,(H2,25,29)
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n/an/a 3.10n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303073
PNG
(3-(6-(2-(4-fluorophenyl)pyrrolidin-1-yl)pyrimidin-...)
Show SMILES Nc1nn2cccnc2c1-c1cc(ncn1)N1CCCC1c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN7/c21-14-6-4-13(5-7-14)16-3-1-9-27(16)17-11-15(24-12-25-17)18-19(22)26-28-10-2-8-23-20(18)28/h2,4-8,10-12,16H,1,3,9H2,(H2,22,26)
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n/an/a 3.40n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303078
PNG
(1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimid...)
Show SMILES CCCN(CC)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C21H28N8O/c1-3-9-27(4-2)21(30)15-7-5-10-28(13-15)17-12-16(24-14-25-17)18-19(22)26-29-11-6-8-23-20(18)29/h6,8,11-12,14-15H,3-5,7,9-10,13H2,1-2H3,(H2,22,26)
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n/an/a 3.60n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303056
PNG
(1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimid...)
Show SMILES CCN(CC(F)(F)F)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C20H23F3N8O/c1-2-29(11-20(21,22)23)19(32)13-5-3-7-30(10-13)15-9-14(26-12-27-15)16-17(24)28-31-8-4-6-25-18(16)31/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3,(H2,24,28)
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n/an/a 4n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303058
PNG
(1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimid...)
Show SMILES CCN(CCC(F)(F)F)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C21H25F3N8O/c1-2-30(10-6-21(22,23)24)20(33)14-5-3-8-31(12-14)16-11-15(27-13-28-16)17-18(25)29-32-9-4-7-26-19(17)32/h4,7,9,11,13-14H,2-3,5-6,8,10,12H2,1H3,(H2,25,29)
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n/an/a 4.60n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303055
PNG
(1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimid...)
Show SMILES CCCN(CCC)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C22H30N8O/c1-3-9-28(10-4-2)22(31)16-7-5-11-29(14-16)18-13-17(25-15-26-18)19-20(23)27-30-12-6-8-24-21(19)30/h6,8,12-13,15-16H,3-5,7,9-11,14H2,1-2H3,(H2,23,27)
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n/an/a 4.70n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303059
PNG
(3-(6-(benzylamino)pyrimidin-4-yl)pyrazolo[1,5-a]py...)
Show SMILES Nc1nn2cccnc2c1-c1cc(NCc2ccccc2)ncn1
Show InChI InChI=1S/C17H15N7/c18-16-15(17-19-7-4-8-24(17)23-16)13-9-14(22-11-21-13)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,23)(H,20,21,22)
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n/an/a 6n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303070
PNG
((R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4...)
Show SMILES C[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303066
PNG
(3-(6-(4-fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,...)
Show SMILES Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1
Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-11(3-5-12)9-25-14-8-13(21-10-22-14)15-16(19)23-24-7-1-6-20-17(15)24/h1-8,10H,9H2,(H2,19,23)
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n/an/a 7.80n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303069
PNG
((R)-3-(6-(1-(4-chlorophenyl)ethylamino)pyrimidin-4...)
Show SMILES C[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H16ClN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303075
PNG
((R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4...)
Show SMILES CCC[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-2-4-15(13-5-7-14(21)8-6-13)26-17-11-16(24-12-25-17)18-19(22)27-28-10-3-9-23-20(18)28/h3,5-12,15H,2,4H2,1H3,(H2,22,27)(H,24,25,26)/t15-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303072
PNG
((R)-3-(6-(2,3-dihydro-1H-inden-1-ylamino)pyrimidin...)
Show SMILES Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc23)ncn1 |r|
Show InChI InChI=1S/C19H17N7/c20-18-17(19-21-8-3-9-26(19)25-18)15-10-16(23-11-22-15)24-14-7-6-12-4-1-2-5-13(12)14/h1-5,8-11,14H,6-7H2,(H2,20,25)(H,22,23,24)/t14-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
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