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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'ghoreschi' and Initial = 'k'   
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 JAK3


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/a 0.127n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM202554
PNG
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)
Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1
Show InChI InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12+/t15-,20+/m1/s1
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n/an/a 0.154n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
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
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 0.292n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
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
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 0.496n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 2.20n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3 (aa 781-1124)


(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
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 3.5n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 8.90n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/a 9n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202554
PNG
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)
Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1
Show InChI InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12+/t15-,20+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202552
PNG
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+
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n/an/a 19n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
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
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



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM202552
PNG
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+
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n/an/a 22n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202552
PNG
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+
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n/an/a 51n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/a 52n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM50426731
PNG
(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...)
Show SMILES C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16)
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n/an/a 63n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202554
PNG
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)
Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1
Show InChI InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12+/t15-,20+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM202552
PNG
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+
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n/an/a 78n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
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
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



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM202552
PNG
((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+
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n/an/a 113n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202557
PNG
((E)-3-(4-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)13-10-17-8-11-18(12-9-17)25-28-21-16-27-24-20(14-15-26-24)23(21)30(25)19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,26,27)/b13-10+
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n/an/a 226n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM202554
PNG
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)
Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1
Show InChI InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12+/t15-,20+/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/a 346n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM202553
PNG
((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...)
Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N
Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
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n/an/a 459n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202555
PNG
((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES NC(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C23H23N5O/c24-20(29)10-9-15-5-4-6-16(13-15)23-27-19-14-26-22-18(11-12-25-22)21(19)28(23)17-7-2-1-3-8-17/h4-6,9-14,17H,1-3,7-8H2,(H2,24,29)(H,25,26)/b10-9+
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n/an/a 470n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM202556
PNG
((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...)
Show SMILES CN(C)C(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)12-11-17-7-6-8-18(15-17)25-28-21-16-27-24-20(13-14-26-24)23(21)30(25)19-9-4-3-5-10-19/h6-8,11-16,19H,3-5,9-10H2,1-2H3,(H,26,27)/b12-11+
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n/an/a 548n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM202554
PNG
((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...)
Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1
Show InChI InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12+/t15-,20+/m1/s1
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n/an/a 898n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen



Assay Description
A commercial assay by Reaction Biology Corp.


Cell Chem Biol 23: 1335-1340 (2016)


Article DOI: 10.1016/j.chembiol.2016.10.008
BindingDB Entry DOI: 10.7270/Q2WS8S22
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(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
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 3.40E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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
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 3.87E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50273894
PNG
(3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...)
Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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/an/a 450n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Mst2 (unknown origin)


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4 (STK4)


(Homo sapiens (Human))
BDBM50273894
PNG
(3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...)
Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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/an/a 250n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Mst1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50273894
PNG
(3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...)
Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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/an/a 1.80n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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
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/an/a 270n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50273931
PNG
(3-((3S,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
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/an/a 420n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50273931
PNG
(3-((3S,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
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/an/a 460n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50273894
PNG
(3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...)
Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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/an/a 190n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
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
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/an/a 180n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50273931
PNG
(3-((3S,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
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/an/a 150n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50273931
PNG
(3-((3S,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
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/an/a 790n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K5


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
CaM kinase I alpha


(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
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/an/a 5.00E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Camk1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
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
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/an/a 250n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to TYK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TNK1


(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
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/an/a 640n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Tnk1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 2


(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
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/an/a 420n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to SNARK


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 6


(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
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/an/a 1.20E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to RPS6KA6 kinase domain.2- C-terminal


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(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
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/an/a 1.40E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to RPS6KA2 kinase domain.2- C-terminal


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Protein kinase N1


(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
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/an/a 200n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to PKN1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase MST2


(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
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/an/a 4.30E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MST2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase DCLK3


(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
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/an/a 4.5n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to DCamkL3


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
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
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/an/a 1.80n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
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
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/an/a 1.70n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 51: 8012-8 (2008)


Article DOI: 10.1021/jm801142b
BindingDB Entry DOI: 10.7270/Q29W0FB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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