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PubMed code 26071372

Compile data set for download or QSAR
Found 89 hits of Enzyme Inhibition Constant Data   
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))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095950
PNG
(CHEMBL3593779)
Show SMILES C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
Show InChI InChI=1/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/s2
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n/an/a 0.780n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095953
PNG
(CHEMBL3593776)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16+,20?/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095955
PNG
(CHEMBL3593771)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C13H19N5O5/c1-5(2)22-13-16-10(14)7-11(17-13)18(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,3H2,1-2H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095951
PNG
(CHEMBL3593778)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095959
PNG
(CHEMBL3593770)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095954
PNG
(CHEMBL3593775)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16+,20?/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095984
PNG
(CHEMBL3593761)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1c(cnc2[nH]ccc12)C(N)=O |r|
Show InChI InChI=1S/C20H25N5O5/c1-2-11(12-6-4-3-5-7-12)9-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(8-26)30-19/h3-7,10-11,13,15-16,19,26-28H,2,8-9H2,1H3,(H2,21,23,24)/t11-,13-,15+,16+,19?/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095957
PNG
(CHEMBL3593773)
Show SMILES NC(=O)c1ccc(nc1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095956
PNG
(CHEMBL3593774)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(CO)cn1
Show InChI InChI=1S/C20H21N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,16-17,20,26-28H,4,8,10H2,(H2,21,23,24)/t13-,16+,17+,20?/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095950
PNG
(CHEMBL3593779)
Show SMILES C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
Show InChI InChI=1/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/s2
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095953
PNG
(CHEMBL3593776)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16+,20?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095950
PNG
(CHEMBL3593779)
Show SMILES C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
Show InChI InChI=1/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/s2
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n/an/a 14n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095955
PNG
(CHEMBL3593771)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C13H19N5O5/c1-5(2)22-13-16-10(14)7-11(17-13)18(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,3H2,1-2H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095951
PNG
(CHEMBL3593778)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095955
PNG
(CHEMBL3593771)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C13H19N5O5/c1-5(2)22-13-16-10(14)7-11(17-13)18(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,3H2,1-2H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095953
PNG
(CHEMBL3593776)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16+,20?/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095964
PNG
(CHEMBL3593765)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)6-5-10-4-3-7-21-8-10/h3-4,7-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15+,19?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095958
PNG
(CHEMBL3593772)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C18H23N5O4/c19-16-13-17(22-12(21-16)7-3-6-10-4-1-2-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h9-11,14-15,18,24-26H,1-2,4-6,8H2,(H2,19,21,22)/t11-,14+,15+,18?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095960
PNG
(CHEMBL3593769)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(c2)C#N)CC1
Show InChI InChI=1S/C21H20N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)7-6-11-4-3-5-12(8-11)9-28/h3-5,8-10,15-17,21,29-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t15-,16+,17+,21?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095951
PNG
(CHEMBL3593778)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095984
PNG
(CHEMBL3593761)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1c(cnc2[nH]ccc12)C(N)=O |r|
Show InChI InChI=1S/C20H25N5O5/c1-2-11(12-6-4-3-5-7-12)9-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(8-26)30-19/h3-7,10-11,13,15-16,19,26-28H,2,8-9H2,1H3,(H2,21,23,24)/t11-,13-,15+,16+,19?/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095954
PNG
(CHEMBL3593775)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16+,20?/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095954
PNG
(CHEMBL3593775)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16+,20?/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095957
PNG
(CHEMBL3593773)
Show SMILES NC(=O)c1ccc(nc1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095961
PNG
(CHEMBL3593768)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)C(=O)CC#N
Show InChI InChI=1S/C19H25N5O4/c20-17-14-18(23-13(22-17)8-4-7-11-5-2-1-3-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h10-12,15-16,19,25-27H,1-3,5-7,9H2,(H2,20,22,23)/t12-,15+,16+,19?/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095960
PNG
(CHEMBL3593769)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(c2)C#N)CC1
Show InChI InChI=1S/C21H20N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)7-6-11-4-3-5-12(8-11)9-28/h3-5,8-10,15-17,21,29-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t15-,16+,17+,21?/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095984
PNG
(CHEMBL3593761)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1c(cnc2[nH]ccc12)C(N)=O |r|
Show InChI InChI=1S/C20H25N5O5/c1-2-11(12-6-4-3-5-7-12)9-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(8-26)30-19/h3-7,10-11,13,15-16,19,26-28H,2,8-9H2,1H3,(H2,21,23,24)/t11-,13-,15+,16+,19?/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095959
PNG
(CHEMBL3593770)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095959
PNG
(CHEMBL3593770)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095957
PNG
(CHEMBL3593773)
Show SMILES NC(=O)c1ccc(nc1)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095964
PNG
(CHEMBL3593765)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)6-5-10-4-3-7-21-8-10/h3-4,7-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15+,19?/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095964
PNG
(CHEMBL3593765)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)6-5-10-4-3-7-21-8-10/h3-4,7-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15+,19?/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095983
PNG
(CHEMBL3593762)
Show SMILES CN1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095956
PNG
(CHEMBL3593774)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(CO)cn1
Show InChI InChI=1S/C20H21N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,16-17,20,26-28H,4,8,10H2,(H2,21,23,24)/t13-,16+,17+,20?/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095961
PNG
(CHEMBL3593768)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)C(=O)CC#N
Show InChI InChI=1S/C19H25N5O4/c20-17-14-18(23-13(22-17)8-4-7-11-5-2-1-3-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h10-12,15-16,19,25-27H,1-3,5-7,9H2,(H2,20,22,23)/t12-,15+,16+,19?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095962
PNG
(CHEMBL3593767)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C21H20N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)8-7-11-5-3-4-6-12(11)9-28/h3-6,9-10,15-17,21,29-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t15-,16+,17+,21?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095965
PNG
(CHEMBL3593764)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6+,9?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095956
PNG
(CHEMBL3593774)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(CO)cn1
Show InChI InChI=1S/C20H21N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,16-17,20,26-28H,4,8,10H2,(H2,21,23,24)/t13-,16+,17+,20?/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095965
PNG
(CHEMBL3593764)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6+,9?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095961
PNG
(CHEMBL3593768)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)C(=O)CC#N
Show InChI InChI=1S/C19H25N5O4/c20-17-14-18(23-13(22-17)8-4-7-11-5-2-1-3-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h10-12,15-16,19,25-27H,1-3,5-7,9H2,(H2,20,22,23)/t12-,15+,16+,19?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095963
PNG
(CHEMBL3593766)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23)/t12-,13+,14+,18?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50095983
PNG
(CHEMBL3593762)
Show SMILES CN1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095983
PNG
(CHEMBL3593762)
Show SMILES CN1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14+,15+,18?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095966
PNG
(CHEMBL3593763)
Show SMILES CC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C20H31N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h11-13,15-16,19,26-28H,1-10H2,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095958
PNG
(CHEMBL3593772)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C18H23N5O4/c19-16-13-17(22-12(21-16)7-3-6-10-4-1-2-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h9-11,14-15,18,24-26H,1-2,4-6,8H2,(H2,19,21,22)/t11-,14+,15+,18?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095963
PNG
(CHEMBL3593766)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23)/t12-,13+,14+,18?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/CycA (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095962
PNG
(CHEMBL3593767)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCCN(Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C21H20N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)8-7-11-5-3-4-6-12(11)9-28/h3-6,9-10,15-17,21,29-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t15-,16+,17+,21?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50095966
PNG
(CHEMBL3593763)
Show SMILES CC(=O)N1CCC(CC1)Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1S/C20H31N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h11-13,15-16,19,26-28H,1-10H2,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of EPHA2 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CSK (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of BMPR1A (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of MEKK1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2a (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of AurC (unknown origin)


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095955
PNG
(CHEMBL3593771)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C13H19N5O5/c1-5(2)22-13-16-10(14)7-11(17-13)18(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,3H2,1-2H3,(H2,14,16,17)/t6-,8+,9+,12?/m1/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095950
PNG
(CHEMBL3593779)
Show SMILES C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
Show InChI InChI=1/C20H21N7O/c1-12-11-27(17-3-2-13(8-21)9-24-17)7-5-16(12)26-18-14-4-6-23-20(14)25-10-15(18)19(22)28/h2-4,6,9-10,12,16H,5,7,11H2,1H3,(H2,22,28)(H2,23,25,26)/t12-,16+/s2
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n/an/a 2.87E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095951
PNG
(CHEMBL3593778)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15+,16+,19?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095954
PNG
(CHEMBL3593775)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16+,20?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095953
PNG
(CHEMBL3593776)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
Show InChI InChI=1S/C21H30N6O6/c1-3-23-19(30)16-14(28)15(29)20(33-16)27-9-24-13-17(22)25-12(26-18(13)27)8-10-4-6-11(7-5-10)21(31)32-2/h9-11,14-16,20,28-29H,3-8H2,1-2H3,(H,23,30)(H2,22,25,26)/t10?,11?,14-,15+,16+,20?/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay


Bioorg Med Chem 23: 4871-83 (2015)


Article DOI: 10.1016/j.bmc.2015.05.034
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%