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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'blumenkopf' and Initial = 'ta'   
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
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50051434
PNG
(10-epi-hydroxy-Ryanodine | CHEMBL308183 | Ryanodin...)
Show SMILES CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,14:31:21:16.29.18,20:19:31.14:29,3:33:21:16.29.18,5:14:29:19.21.18,28:29:31.33:21,28:29:31.14:19.21.18,THB:32:31:21:16.29.18,32:31:29:19.21.18,33:19:31.14:29,15:14:29:19.21.18,14:16:31.33:21,30:29:31.33:21,30:29:31.14:19.21.18,34:33:21:16.29.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
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1.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding to ryanodine receptor in canine cardiac membranes.


J Med Chem 39: 2331-8 (1996)


Article DOI: 10.1021/jm950711l
BindingDB Entry DOI: 10.7270/Q24Q7T31
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 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
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 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
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 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332622
PNG
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)
Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r|
Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
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 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50051434
PNG
(10-epi-hydroxy-Ryanodine | CHEMBL308183 | Ryanodin...)
Show SMILES CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,14:31:21:16.29.18,20:19:31.14:29,3:33:21:16.29.18,5:14:29:19.21.18,28:29:31.33:21,28:29:31.14:19.21.18,THB:32:31:21:16.29.18,32:31:29:19.21.18,33:19:31.14:29,15:14:29:19.21.18,14:16:31.33:21,30:29:31.33:21,30:29:31.14:19.21.18,34:33:21:16.29.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
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n/an/a 3.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against ryanodine receptor from mouse brain preparation


J Med Chem 39: 2331-8 (1996)


Article DOI: 10.1021/jm950711l
BindingDB Entry DOI: 10.7270/Q24Q7T31
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50051434
PNG
(10-epi-hydroxy-Ryanodine | CHEMBL308183 | Ryanodin...)
Show SMILES CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,14:31:21:16.29.18,20:19:31.14:29,3:33:21:16.29.18,5:14:29:19.21.18,28:29:31.33:21,28:29:31.14:19.21.18,THB:32:31:21:16.29.18,32:31:29:19.21.18,33:19:31.14:29,15:14:29:19.21.18,14:16:31.33:21,30:29:31.33:21,30:29:31.14:19.21.18,34:33:21:16.29.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
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n/an/a 3.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against ryanodine receptor from rabbit muscle preparation


J Med Chem 39: 2331-8 (1996)


Article DOI: 10.1021/jm950711l
BindingDB Entry DOI: 10.7270/Q24Q7T31
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332622
PNG
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)
Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r|
Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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 4.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332620
PNG
(2-Methyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]py...)
Show SMILES CC(C#N)C(=O)N1CCC(C)C(C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H22N6O/c1-11-5-7-23(17(24)12(2)8-18)9-14(11)22(3)16-13-4-6-19-15(13)20-10-21-16/h4,6,10-12,14H,5,7,9H2,1-3H3,(H,19,20,21)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332623
PNG
(CHEMBL1630786 | N-Benzyl-2-((R)-2-((1S,3S,4R)-4-me...)
Show SMILES C[C@@H](COCC(=O)NCc1ccccc1)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C26H35N5O2/c1-18-9-10-21(13-23(18)31(3)26-22-11-12-27-25(22)29-17-30-26)19(2)15-33-16-24(32)28-14-20-7-5-4-6-8-20/h4-8,11-12,17-19,21,23H,9-10,13-16H2,1-3H3,(H,28,32)(H,27,29,30)/t18-,19+,21+,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332604
PNG
(CHEMBL1630788 | cis-N-Methyl-N-(4-methyl-1-(2,2,2-...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r|
Show InChI InChI=1S/C15H20F3N5O2S/c1-10-4-6-23(26(24,25)8-15(16,17)18)7-12(10)22(2)14-11-3-5-19-13(11)20-9-21-14/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332597
PNG
(CHEMBL1630801 | cis-3,3,3-Trifluoro-1-(4-methyl-3-...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC(F)(F)F |r|
Show InChI InChI=1S/C16H20F3N5O/c1-10-4-6-24(13(25)7-16(17,18)19)8-12(10)23(2)15-11-3-5-20-14(11)21-9-22-15/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,20,21,22)/t10-,12+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332601
PNG
(CHEMBL1630800 | cis-2-Cyclopropyl-1-(4-methyl-3-(m...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC1CC1 |r|
Show InChI InChI=1S/C18H25N5O/c1-12-6-8-23(16(24)9-13-3-4-13)10-15(12)22(2)18-14-5-7-19-17(14)20-11-21-18/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,19,20,21)/t12-,15+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332625
PNG
((R)-2-((1S,3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,...)
Show SMILES C[C@@H](CO)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H26N4O/c1-11-4-5-13(12(2)9-22)8-15(11)21(3)17-14-6-7-18-16(14)19-10-20-17/h6-7,10-13,15,22H,4-5,8-9H2,1-3H3,(H,18,19,20)/t11-,12+,13+,15+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332624
PNG
(CHEMBL1630774 | N-(2,5-Dimethylcyclohexyl)-N-methy...)
Show SMILES CC1CCC(C)C(C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H22N4/c1-10-4-5-11(2)13(8-10)19(3)15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,16,17,18)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
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 20n/an/an/an/an/an/a



Pfizer Global Researchand Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Science 302: 875-878 (2003)


Article DOI: 10.1126/science.1087061
BindingDB Entry DOI: 10.7270/Q22Z16FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332593
PNG
(CHEMBL1630789 | cis-4-Methyl-3-(methyl(7H-pyrrolo[...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)Nc1cc(C)ns1 |r|
Show InChI InChI=1S/C18H23N7OS/c1-11-5-7-25(18(26)22-15-8-12(2)23-27-15)9-14(11)24(3)17-13-4-6-19-16(13)20-10-21-17/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,22,26)(H,19,20,21)/t11-,14+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332598
PNG
(3-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCC(=O)C1
Show InChI InChI=1S/C19H25N5O2/c1-12-6-8-24(19(26)13-3-4-14(25)9-13)10-16(12)23(2)18-15-5-7-20-17(15)21-11-22-18/h5,7,11-13,16H,3-4,6,8-10H2,1-2H3,(H,20,21,22)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332592
PNG
(CHEMBL1630791 | D3RKN_90 | cis-2-Hydroxy-1-(4-meth...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CO |r|
Show InChI InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332626
PNG
(CHEMBL1630784 | N,N-Diethyl-2-((R)-2-((1S,3S,4R)-4...)
Show SMILES CCN(CC)C(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C23H37N5O2/c1-6-28(7-2)21(29)14-30-13-17(4)18-9-8-16(3)20(12-18)27(5)23-19-10-11-24-22(19)25-15-26-23/h10-11,15-18,20H,6-9,12-14H2,1-5H3,(H,24,25,26)/t16-,17+,18+,20+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(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 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332627
PNG
(CHEMBL1630785 | N-Methyl-2-((R)-2-((1S,3S,4R)-4-me...)
Show SMILES CNC(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H31N5O2/c1-13-5-6-15(14(2)10-27-11-18(26)21-3)9-17(13)25(4)20-16-7-8-22-19(16)23-12-24-20/h7-8,12-15,17H,5-6,9-11H2,1-4H3,(H,21,26)(H,22,23,24)/t13-,14+,15+,17+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332628
PNG
(CHEMBL1630798 | cis-Cyclopentyl(4-methyl-3-(methyl...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H27N5O/c1-13-8-10-24(19(25)14-5-3-4-6-14)11-16(13)23(2)18-15-7-9-20-17(15)21-12-22-18/h7,9,12-14,16H,3-6,8,10-11H2,1-2H3,(H,20,21,22)/t13-,16+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332611
PNG
((4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-y...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCOC1
Show InChI InChI=1S/C18H25N5O2/c1-12-4-7-23(18(24)13-5-8-25-10-13)9-15(12)22(2)17-14-3-6-19-16(14)20-11-21-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332596
PNG
(CHEMBL1630790 | cis-N-(1-(2,3-Difluorobenzyl)-4-me...)
Show SMILES C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C20H23F2N5/c1-13-7-9-27(10-14-4-3-5-16(21)18(14)22)11-17(13)26(2)20-15-6-8-23-19(15)24-12-25-20/h3-6,8,12-13,17H,7,9-11H2,1-2H3,(H,23,24,25)/t13-,17+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50273930
PNG
(3-((3S,4S)-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+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332603
PNG
(CHEMBL1630771 | N-Cyclooctyl-N-methyl-7H-pyrrolo[2...)
Show SMILES CN(C1CCCCCCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H22N4/c1-19(12-7-5-3-2-4-6-8-12)15-13-9-10-16-14(13)17-11-18-15/h9-12H,2-8H2,1H3,(H,16,17,18)
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n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332629
PNG
(CHEMBL1630775 | N-(2-Isopropyl-5-methylcyclohexyl)...)
Show SMILES CCC1CCCCC1N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H22N4/c1-3-11-6-4-5-7-13(11)19(2)15-12-8-9-16-14(12)17-10-18-15/h8-11,13H,3-7H2,1-2H3,(H,16,17,18)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332630
PNG
(CHEMBL1630773 | N-Methyl-N-(2-methylcyclohexyl)-7H...)
Show SMILES CC1CCCCC1N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H20N4/c1-10-5-3-4-6-12(10)18(2)14-11-7-8-15-13(11)16-9-17-14/h7-10,12H,3-6H2,1-2H3,(H,15,16,17)
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332595
PNG
(CHEMBL1630764 | N-Cycloheptyl-N-methyl-7H-pyrrolo[...)
Show SMILES CN(C1CCCCCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H20N4/c1-18(11-6-4-2-3-5-7-11)14-12-8-9-15-13(12)16-10-17-14/h8-11H,2-7H2,1H3,(H,15,16,17)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK1 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(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 112n/an/an/an/an/an/a



Pfizer Global Researchand Development

Curated by ChEMBL


Assay Description
Inhibition of JAK1


Science 302: 875-878 (2003)


Article DOI: 10.1126/science.1087061
BindingDB Entry DOI: 10.7270/Q22Z16FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332606
PNG
(2,2-Dimethyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C(C)(C)C#N
Show InChI InChI=1S/C18H24N6O/c1-12-6-8-24(17(25)18(2,3)10-19)9-14(12)23(4)16-13-5-7-20-15(13)21-11-22-16/h5,7,11-12,14H,6,8-9H2,1-4H3,(H,20,21,22)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332605
PNG
(1-Benzyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]py...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H30N6O2/c1-17-9-12-31(15-21(17)29(2)23-19-8-11-26-22(19)27-16-28-23)25(33)20-10-13-30(24(20)32)14-18-6-4-3-5-7-18/h3-8,11,16-17,20-21H,9-10,12-15H2,1-2H3,(H,26,27,28)
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n/an/a 117n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332613
PNG
(CHEMBL1630765 | N-Methyl-N-(3-methylcyclohexyl)-7H...)
Show SMILES CC1CCCC(C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H20N4/c1-10-4-3-5-11(8-10)18(2)14-12-6-7-15-13(12)16-9-17-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,16,17)
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n/an/a 138n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332610
PNG
((4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-y...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)c1ccsc1
Show InChI InChI=1S/C18H21N5OS/c1-12-4-7-23(18(24)13-5-8-25-10-13)9-15(12)22(2)17-14-3-6-19-16(14)20-11-21-17/h3,5-6,8,10-12,15H,4,7,9H2,1-2H3,(H,19,20,21)
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n/an/a 143n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332612
PNG
(1-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CS(C)(=O)=O
Show InChI InChI=1S/C16H23N5O3S/c1-11-5-7-21(14(22)9-25(3,23)24)8-13(11)20(2)16-12-4-6-17-15(12)18-10-19-16/h4,6,10-11,13H,5,7-9H2,1-3H3,(H,17,18,19)
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n/an/a 147n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332614
PNG
((R)-2-((1S,3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,...)
Show SMILES CCN(CC)C(=O)OC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C22H35N5O2/c1-6-27(7-2)22(28)29-13-16(4)17-9-8-15(3)19(12-17)26(5)21-18-10-11-23-20(18)24-14-25-21/h10-11,14-17,19H,6-9,12-13H2,1-5H3,(H,23,24,25)/t15-,16+,17+,19+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332599
PNG
(CHEMBL1630770 | N-Cyclohexyl-N-methyl-7H-pyrrolo[2...)
Show SMILES CN(C1CCCCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C13H18N4/c1-17(10-5-3-2-4-6-10)13-11-7-8-14-12(11)15-9-16-13/h7-10H,2-6H2,1H3,(H,14,15,16)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332607
PNG
(9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,4a,9,9a-...)
Show SMILES C1CCC2C(C1)N(c1ccccc21)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18N4/c1-3-7-15-12(5-1)13-6-2-4-8-16(13)22(15)18-14-9-10-19-17(14)20-11-21-18/h1,3,5,7,9-11,13,16H,2,4,6,8H2,(H,19,20,21)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332608
PNG
(4-(Piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C11H14N4/c1-2-6-15(7-3-1)11-9-4-5-12-10(9)13-8-14-11/h4-5,8H,1-3,6-7H2,(H,12,13,14)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332615
PNG
(CHEMBL1630778 | N-(2,2-dimethylcyclohexyl)-N-methy...)
Show SMILES CN(C1CCCCC1(C)C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H22N4/c1-15(2)8-5-4-6-12(15)19(3)14-11-7-9-16-13(11)17-10-18-14/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,17,18)
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n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332616
PNG
(CHEMBL1630794 | cis-2-Cyclopentyl-1-(4-methyl-3-(m...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC1CCCC1 |r|
Show InChI InChI=1S/C20H29N5O/c1-14-8-10-25(18(26)11-15-5-3-4-6-15)12-17(14)24(2)20-16-7-9-21-19(16)22-13-23-20/h7,9,13-15,17H,3-6,8,10-12H2,1-2H3,(H,21,22,23)/t14-,17+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332609
PNG
(4-(2,5-Dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]p...)
Show SMILES CC1CCC(C)N1c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H16N4/c1-8-3-4-9(2)16(8)12-10-5-6-13-11(10)14-7-15-12/h5-9H,3-4H2,1-2H3,(H,13,14,15)
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332600
PNG
(4-(Octahydro-1H-indol-1-yl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES C1CN(C2CCCCC12)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H18N4/c1-2-4-12-10(3-1)6-8-18(12)14-11-5-7-15-13(11)16-9-17-14/h5,7,9-10,12H,1-4,6,8H2,(H,15,16,17)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332617
PNG
(CHEMBL1630772 | N-Methyl-N-(4-methylcyclohexyl)-7H...)
Show SMILES CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(4.28,-4.47,;2.95,-5.24,;2.94,-6.78,;1.62,-7.55,;.28,-6.79,;.27,-5.24,;1.61,-4.47,;-1.05,-7.56,;-2.38,-6.79,;-1.05,-9.1,;-2.37,-9.87,;-2.37,-11.41,;-1.04,-12.18,;.29,-11.41,;1.77,-11.89,;2.68,-10.63,;1.77,-9.38,;.29,-9.86,)|
Show InChI InChI=1S/C14H20N4/c1-10-3-5-11(6-4-10)18(2)14-12-7-8-15-13(12)16-9-17-14/h7-11H,3-6H2,1-2H3,(H,15,16,17)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332618
PNG
(CHEMBL1630769 | N-Cyclopentyl-N-methyl-7H-pyrrolo[...)
Show SMILES CN(C1CCCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H16N4/c1-16(9-4-2-3-5-9)12-10-6-7-13-11(10)14-8-15-12/h6-9H,2-5H2,1H3,(H,13,14,15)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50332592
PNG
(CHEMBL1630791 | D3RKN_90 | cis-2-Hydroxy-1-(4-meth...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CO |r|
Show InChI InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK2 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
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