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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'thakur' and Initial = 'kd'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193999
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-((S)-1-phenyle...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C18H16N6/c1-13(14-5-3-2-4-6-14)22-17-8-10-20-18(23-17)24-12-21-15-7-9-19-11-16(15)24/h2-13H,1H3,(H,20,22,23)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201514
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-methoxy-7-meth...)
Show SMILES CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C23H22N8O2/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-33-3)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194011
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N4,N4-dimethyl-N...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)N(C)C)c1ccccc1
Show InChI InChI=1S/C20H21N7/c1-14(15-7-5-4-6-8-15)23-18-11-19(26(2)3)25-20(24-18)27-13-22-16-9-10-21-12-17(16)27/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193989
PNG
(CHEMBL221976 | N-((S)-1-(4-fluorophenyl)ethyl)-2-(...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN6/c1-12(13-2-4-14(19)5-3-13)23-17-7-9-21-18(24-17)25-11-22-15-6-8-20-10-16(15)25/h2-12H,1H3,(H,21,23,24)/t12-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201503
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCN(C)CC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C27H29N9O/c1-18(19-7-5-4-6-8-19)30-24-20-15-22(26(37)35-13-11-33(2)12-14-35)34(3)25(20)32-27(31-24)36-17-29-21-9-10-28-16-23(21)36/h4-10,15-18H,11-14H2,1-3H3,(H,30,31,32)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194009
PNG
(6-(3,4-dimethoxyphenyl)-2-(3H-imidazo[4,5-c]pyridi...)
Show SMILES COc1ccc(cc1OC)-c1cc(N[C@@H](C)c2ccccc2)nc(n1)-n1cnc2ccncc12
Show InChI InChI=1S/C26H24N6O2/c1-17(18-7-5-4-6-8-18)29-25-14-21(19-9-10-23(33-2)24(13-19)34-3)30-26(31-25)32-16-28-20-11-12-27-15-22(20)32/h4-17H,1-3H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193990
PNG
(6-(furan-3-yl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-N...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccoc1)c1ccccc1
Show InChI InChI=1S/C22H18N6O/c1-15(16-5-3-2-4-6-16)25-21-11-19(17-8-10-29-13-17)26-22(27-21)28-14-24-18-7-9-23-12-20(18)28/h2-15H,1H3,(H,25,26,27)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194015
PNG
(3-(4-(2-chlorophenoxy)-6-(4-methylpiperazin-1-yl)p...)
Show SMILES CN1CCN(CC1)c1cc(Oc2ccccc2Cl)nc(n1)-n1cnc2ccncc12
Show InChI InChI=1S/C21H20ClN7O/c1-27-8-10-28(11-9-27)19-12-20(30-18-5-3-2-4-15(18)22)26-21(25-19)29-14-24-16-6-7-23-13-17(16)29/h2-7,12-14H,8-11H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201514
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-methoxy-7-meth...)
Show SMILES CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C23H22N8O2/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-33-3)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193994
PNG
(4-(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-((S)-1-phen...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C25H19N7/c1-17(19-5-3-2-4-6-19)29-24-13-22(20-9-7-18(14-26)8-10-20)30-25(31-24)32-16-28-21-11-12-27-15-23(21)32/h2-13,15-17H,1H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201504
PNG
(CHEMBL233555 | N-(2-(dimethylamino)ethyl)-2-(3H-im...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCN(C)C)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H29N9O/c1-17(18-8-6-5-7-9-18)30-23-19-14-21(25(36)28-12-13-33(2)3)34(4)24(19)32-26(31-23)35-16-29-20-10-11-27-15-22(20)35/h5-11,14-17H,12-13H2,1-4H3,(H,28,36)(H,30,31,32)/t17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194011
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N4,N4-dimethyl-N...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)N(C)C)c1ccccc1
Show InChI InChI=1S/C20H21N7/c1-14(15-7-5-4-6-8-15)23-18-11-19(26(2)3)25-20(24-18)27-13-22-16-9-10-21-12-17(16)27/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193991
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-(4-methylpiper...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C23H26N8/c1-17(18-6-4-3-5-7-18)26-21-14-22(30-12-10-29(2)11-13-30)28-23(27-21)31-16-25-19-8-9-24-15-20(19)31/h3-9,14-17H,10-13H2,1-2H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194010
PNG
(6-(4-(dimethylamino)phenyl)-2-(3H-imidazo[4,5-c]py...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C26H25N7/c1-18(19-7-5-4-6-8-19)29-25-15-23(20-9-11-21(12-10-20)32(2)3)30-26(31-25)33-17-28-22-13-14-27-16-24(22)33/h4-18H,1-3H3,(H,29,30,31)/t18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193999
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-((S)-1-phenyle...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C18H16N6/c1-13(14-5-3-2-4-6-14)22-17-8-10-20-18(23-17)24-12-21-15-7-9-19-11-16(15)24/h2-13H,1H3,(H,20,22,23)/t13-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201512
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H26N8O2/c1-17(18-6-4-3-5-7-18)29-23-19-14-21(25(35)33-10-12-36-13-11-33)32(2)24(19)31-26(30-23)34-16-28-20-8-9-27-15-22(20)34/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201503
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCN(C)CC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C27H29N9O/c1-18(19-7-5-4-6-8-19)30-24-20-15-22(26(37)35-13-11-33(2)12-14-35)34(3)25(20)32-27(31-24)36-17-29-21-9-10-28-16-23(21)36/h4-10,15-18H,11-14H2,1-3H3,(H,30,31,32)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201516
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyethy...)
Show SMILES COCCNC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C25H26N8O2/c1-16(17-7-5-4-6-8-17)29-22-18-13-20(24(34)27-11-12-35-3)32(2)23(18)31-25(30-22)33-15-28-19-9-10-26-14-21(19)33/h4-10,13-16H,11-12H2,1-3H3,(H,27,34)(H,29,30,31)/t16-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194015
PNG
(3-(4-(2-chlorophenoxy)-6-(4-methylpiperazin-1-yl)p...)
Show SMILES CN1CCN(CC1)c1cc(Oc2ccccc2Cl)nc(n1)-n1cnc2ccncc12
Show InChI InChI=1S/C21H20ClN7O/c1-27-8-10-28(11-9-27)19-12-20(30-18-5-3-2-4-15(18)22)26-21(25-19)29-14-24-16-6-7-23-13-17(16)29/h2-7,12-14H,8-11H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194005
PNG
(CHEMBL221378 | N-((S)-1-(4-fluorophenyl)ethyl)-6-(...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccoc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN6O/c1-14(15-2-4-17(23)5-3-15)26-21-10-19(16-7-9-30-12-16)27-22(28-21)29-13-25-18-6-8-24-11-20(18)29/h2-14H,1H3,(H,26,27,28)/t14-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194008
PNG
(3-(4-(furan-3-yl)-6-((S)-1-phenylethylamino)pyrimi...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccc(cc12)C#N)-c1ccoc1)c1ccccc1
Show InChI InChI=1S/C24H18N6O/c1-16(18-5-3-2-4-6-18)27-23-12-21(19-9-10-31-14-19)28-24(29-23)30-15-26-20-8-7-17(13-25)11-22(20)30/h2-12,14-16H,1H3,(H,27,28,29)/t16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194008
PNG
(3-(4-(furan-3-yl)-6-((S)-1-phenylethylamino)pyrimi...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccc(cc12)C#N)-c1ccoc1)c1ccccc1
Show InChI InChI=1S/C24H18N6O/c1-16(18-5-3-2-4-6-18)27-23-12-21(19-9-10-31-14-19)28-24(29-23)30-15-26-20-8-7-17(13-25)11-22(20)30/h2-12,14-16H,1H3,(H,27,28,29)/t16-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201504
PNG
(CHEMBL233555 | N-(2-(dimethylamino)ethyl)-2-(3H-im...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCN(C)C)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H29N9O/c1-17(18-8-6-5-7-9-18)30-23-19-14-21(25(36)28-12-13-33(2)3)34(4)24(19)32-26(31-23)35-16-29-20-10-11-27-15-22(20)35/h5-11,14-17H,12-13H2,1-4H3,(H,28,36)(H,30,31,32)/t17-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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n/an/a 38n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201506
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(meth...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NS(C)(=O)=O)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C23H22N8O3S/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-35(3,33)34)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193994
PNG
(4-(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-((S)-1-phen...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C25H19N7/c1-17(19-5-3-2-4-6-19)29-24-13-22(20-9-7-18(14-26)8-10-20)30-25(31-24)32-16-28-21-11-12-27-15-23(21)32/h2-13,15-17H,1H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201502
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(3-mo...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCCN1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C29H33N9O2/c1-20(21-7-4-3-5-8-21)33-26-22-17-24(28(39)31-10-6-12-37-13-15-40-16-14-37)36(2)27(22)35-29(34-26)38-19-32-23-9-11-30-18-25(23)38/h3-5,7-9,11,17-20H,6,10,12-16H2,1-2H3,(H,31,39)(H,33,34,35)/t20-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193993
PNG
(3-(4-((S)-1-methoxypropan-2-ylamino)pyrimidin-2-yl...)
Show SMILES COC[C@H](C)Nc1ccnc(n1)-n1cnc2ccc(cc12)C#N
Show InChI InChI=1S/C16H16N6O/c1-11(9-23-2)20-15-5-6-18-16(21-15)22-10-19-13-4-3-12(8-17)7-14(13)22/h3-7,10-11H,9H2,1-2H3,(H,18,20,21)/t11-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201502
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(3-mo...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCCN1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C29H33N9O2/c1-20(21-7-4-3-5-8-21)33-26-22-17-24(28(39)31-10-6-12-37-13-15-40-16-14-37)36(2)27(22)35-29(34-26)38-19-32-23-9-11-30-18-25(23)38/h3-5,7-9,11,17-20H,6,10,12-16H2,1-2H3,(H,31,39)(H,33,34,35)/t20-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201512
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H26N8O2/c1-17(18-6-4-3-5-7-18)29-23-19-14-21(25(35)33-10-12-36-13-11-33)32(2)24(19)31-26(30-23)34-16-28-20-8-9-27-15-22(20)34/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193987
PNG
(4-(3H-imidazo[4,5-c]pyridin-3-yl)-N-((R)-1-phenyle...)
Show SMILES C[C@@H](Nc1nccc(n1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C18H16N6/c1-13(14-5-3-2-4-6-14)22-18-20-10-8-17(23-18)24-12-21-15-7-9-19-11-16(15)24/h2-13H,1H3,(H,20,22,23)/t13-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194009
PNG
(6-(3,4-dimethoxyphenyl)-2-(3H-imidazo[4,5-c]pyridi...)
Show SMILES COc1ccc(cc1OC)-c1cc(N[C@@H](C)c2ccccc2)nc(n1)-n1cnc2ccncc12
Show InChI InChI=1S/C26H24N6O2/c1-17(18-7-5-4-6-8-18)29-25-14-21(19-9-10-23(33-2)24(13-19)34-3)30-26(31-25)32-16-28-20-11-12-27-15-22(20)32/h4-17H,1-3H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194004
PNG
(CHEMBL218746 | N-((S)-1-(4-chlorophenyl)ethyl)-2-(...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN6/c1-12(13-2-4-14(19)5-3-13)23-17-7-9-21-18(24-17)25-11-22-15-6-8-20-10-16(15)25/h2-12H,1H3,(H,21,23,24)/t12-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193996
PNG
(2-(1H-imidazo[4,5-c]pyridin-1-yl)-N-((S)-1-phenyle...)
Show SMILES C[C@H](Nc1ccnc(n1)-n1cnc2cnccc12)c1ccccc1
Show InChI InChI=1S/C18H16N6/c1-13(14-5-3-2-4-6-14)22-17-8-10-20-18(23-17)24-12-21-15-11-19-9-7-16(15)24/h2-13H,1H3,(H,20,22,23)/t13-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193997
PNG
(6-(furan-3-yl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-N...)
Show SMILES COC[C@H](C)Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccoc1
Show InChI InChI=1S/C18H18N6O2/c1-12(9-25-2)21-17-7-15(13-4-6-26-10-13)22-18(23-17)24-11-20-14-3-5-19-8-16(14)24/h3-8,10-12H,9H2,1-2H3,(H,21,22,23)/t12-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201517
PNG
(CHEMBL231733 | N-(3-(1H-imidazol-1-yl)propyl)-2-(3...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCCn1ccnc1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C28H28N10O/c1-19(20-7-4-3-5-8-20)33-25-21-15-23(27(39)31-10-6-13-37-14-12-30-17-37)36(2)26(21)35-28(34-25)38-18-32-22-9-11-29-16-24(22)38/h3-5,7-9,11-12,14-19H,6,10,13H2,1-2H3,(H,31,39)(H,33,34,35)/t19-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201506
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(meth...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NS(C)(=O)=O)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C23H22N8O3S/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-35(3,33)34)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194000
PNG
(3-(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-((S)-1-phen...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C25H19N7/c1-17(19-7-3-2-4-8-19)29-24-13-22(20-9-5-6-18(12-20)14-26)30-25(31-24)32-16-28-21-10-11-27-15-23(21)32/h2-13,15-17H,1H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194013
PNG
((R)-1-(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-((S)-1-...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)N1CC[C@@H](O)C1)c1ccccc1
Show InChI InChI=1S/C22H23N7O/c1-15(16-5-3-2-4-6-16)25-20-11-21(28-10-8-17(30)13-28)27-22(26-20)29-14-24-18-7-9-23-12-19(18)29/h2-7,9,11-12,14-15,17,30H,8,10,13H2,1H3,(H,25,26,27)/t15-,17+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193990
PNG
(6-(furan-3-yl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-N...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccoc1)c1ccccc1
Show InChI InChI=1S/C22H18N6O/c1-15(16-5-3-2-4-6-16)25-21-11-19(17-8-10-29-13-17)26-22(27-21)28-14-24-18-7-9-23-12-20(18)28/h2-15H,1H3,(H,25,26,27)/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193991
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-(4-methylpiper...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C23H26N8/c1-17(18-6-4-3-5-7-18)26-21-14-22(30-12-10-29(2)11-13-30)28-23(27-21)31-16-25-19-8-9-24-15-20(19)31/h3-9,14-17H,10-13H2,1-2H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194010
PNG
(6-(4-(dimethylamino)phenyl)-2-(3H-imidazo[4,5-c]py...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C26H25N7/c1-18(19-7-5-4-6-8-19)29-25-15-23(20-9-11-21(12-10-20)32(2)3)30-26(31-25)33-17-28-22-13-14-27-16-24(22)33/h4-18H,1-3H3,(H,29,30,31)/t18-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201517
PNG
(CHEMBL231733 | N-(3-(1H-imidazol-1-yl)propyl)-2-(3...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCCn1ccnc1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C28H28N10O/c1-19(20-7-4-3-5-8-20)33-25-21-15-23(27(39)31-10-6-13-37-14-12-30-17-37)36(2)26(21)35-28(34-25)38-18-32-22-9-11-29-16-24(22)38/h3-5,7-9,11-12,14-19H,6,10,13H2,1-2H3,(H,31,39)(H,33,34,35)/t19-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194007
PNG
(3-(4-(2,6-difluorophenoxy)-6-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(Oc2c(F)cccc2F)nc(n1)-n1cnc2ccncc12
Show InChI InChI=1S/C21H19F2N7O/c1-28-7-9-29(10-8-28)18-11-19(31-20-14(22)3-2-4-15(20)23)27-21(26-18)30-13-25-16-5-6-24-12-17(16)30/h2-6,11-13H,7-10H2,1H3
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n/an/a 68n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50194014
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-6-(1-methyl-1H-p...)
Show SMILES C[C@H](Nc1cc(nc(n1)-n1cnc2ccncc12)-c1cnn(C)c1)c1ccccc1
Show InChI InChI=1S/C22H20N8/c1-15(16-6-4-3-5-7-16)26-21-10-19(17-11-25-29(2)13-17)27-22(28-21)30-14-24-18-8-9-23-12-20(18)30/h3-15H,1-2H3,(H,26,27,28)/t15-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201516
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyethy...)
Show SMILES COCCNC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C25H26N8O2/c1-16(17-7-5-4-6-8-17)29-22-18-13-20(24(34)27-11-12-35-3)32(2)23(18)31-25(30-22)33-15-28-19-9-10-26-14-21(19)33/h4-10,13-16H,11-12H2,1-3H3,(H,27,34)(H,29,30,31)/t16-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
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