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16 similar compounds to monomer 50433252

Compile data set for download or QSAR
Wt: 398.8
BDBM50431387
Wt: 384.8
BDBM50431388
Wt: 382.8
BDBM50431390
Wt: 368.8
BDBM50431391
Wt: 389.4
BDBM50431398
Wt: 504.9
BDBM50433242
Wt: 488.9
BDBM50433243
Wt: 480.8
BDBM50433244
Wt: 484.5
BDBM50433245
Wt: 468.5
BDBM50433246
Wt: 458.4
BDBM50433247
Wt: 453.4
BDBM50433248
Wt: 446.4
BDBM50433249
Wt: 428.4
BDBM50433250
Wt: 462.8
BDBM50433251
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50431387,50431388,50431390,50431391,50431398,50433242,50433243,50433244,50433245,50433246,50433247,50433248,50433249,50433250,50433251   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431388
PNG
(CHEMBL2348855)
Show SMILES C[C@@H](CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN6O2/c1-9(8-26)22-18(27)12-6-20-17-16(12)23-13(7-21-17)15-11-4-3-10(19)5-14(11)25(2)24-15/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)/t9-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431398
PNG
(CHEMBL2347409)
Show SMILES Cc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)NC3(C)CCNC3)c2n1
Show InChI InChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
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n/an/a 34n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431391
PNG
(CHEMBL2348852)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)
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n/an/a 36n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50431398
PNG
(CHEMBL2347409)
Show SMILES Cc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)NC3(C)CCNC3)c2n1
Show InChI InChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431387
PNG
(CHEMBL2348856)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClN6O2/c1-19(2,9-27)24-18(28)12-7-21-17-16(12)23-13(8-22-17)15-11-5-4-10(20)6-14(11)26(3)25-15/h4-8,27H,9H2,1-3H3,(H,21,22)(H,24,28)
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433242
PNG
(CHEMBL2376155)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C4)C#N)C(C)(C)C)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H25ClN8O2/c1-25(2,3)21(24(36)34-11-13(8-27)12-34)31-23(35)16-9-28-22-20(16)30-17(10-29-22)19-15-6-5-14(26)7-18(15)33(4)32-19/h5-7,9-10,13,21H,11-12H2,1-4H3,(H,28,29)(H,31,35)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433243
PNG
(CHEMBL2376154)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H](C4CC4)C(=O)N4CC(C4)C#N)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H21ClN8O2/c1-32-18-6-14(25)4-5-15(18)20(31-32)17-9-28-22-21(29-17)16(8-27-22)23(34)30-19(13-2-3-13)24(35)33-10-12(7-26)11-33/h4-6,8-9,12-13,19H,2-3,10-11H2,1H3,(H,27,28)(H,30,34)/t19-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433245
PNG
(CHEMBL2376151)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C(C)(C)C)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C26H28N8O2/c1-14(25(36)34-12-15(9-27)13-34)30-24(35)18-10-28-23-22(18)31-19(11-29-23)21-17-7-6-16(26(2,3)4)8-20(17)33(5)32-21/h6-8,10-11,14-15H,12-13H2,1-5H3,(H,28,29)(H,30,35)/t14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433246
PNG
(CHEMBL2376150)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C25H24N8O2/c1-13(25(35)33-11-14(8-26)12-33)29-24(34)18-9-27-23-22(18)30-19(10-28-23)21-17-6-5-16(15-3-4-15)7-20(17)32(2)31-21/h5-7,9-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)(H,29,34)/t13-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433248
PNG
(CHEMBL2376148)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C#N)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C23H19N9O2/c1-12(23(34)32-10-14(7-25)11-32)28-22(33)16-8-26-21-20(16)29-17(9-27-21)19-15-4-3-13(6-24)5-18(15)31(2)30-19/h3-5,8-9,12,14H,10-11H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433250
PNG
(CHEMBL2376146)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H20N8O2/c1-12(22(32)30-10-13(7-23)11-30)26-21(31)15-8-24-20-19(15)27-16(9-25-20)18-14-5-3-4-6-17(14)29(2)28-18/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,31)/t12-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433251
PNG
(CHEMBL2376145)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccc(Cl)cc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19ClN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-5-13(23)3-4-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433242
PNG
(CHEMBL2376155)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C4)C#N)C(C)(C)C)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H25ClN8O2/c1-25(2,3)21(24(36)34-11-13(8-27)12-34)31-23(35)16-9-28-22-20(16)30-17(10-29-22)19-15-6-5-14(26)7-18(15)33(4)32-19/h5-7,9-10,13,21H,11-12H2,1-4H3,(H,28,29)(H,31,35)/t21-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433243
PNG
(CHEMBL2376154)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H](C4CC4)C(=O)N4CC(C4)C#N)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H21ClN8O2/c1-32-18-6-14(25)4-5-15(18)20(31-32)17-9-28-22-21(29-17)16(8-27-22)23(34)30-19(13-2-3-13)24(35)33-10-12(7-26)11-33/h4-6,8-9,12-13,19H,2-3,10-11H2,1H3,(H,27,28)(H,30,34)/t19-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433245
PNG
(CHEMBL2376151)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C(C)(C)C)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C26H28N8O2/c1-14(25(36)34-12-15(9-27)13-34)30-24(35)18-10-28-23-22(18)31-19(11-29-23)21-17-7-6-16(26(2,3)4)8-20(17)33(5)32-21/h6-8,10-11,14-15H,12-13H2,1-5H3,(H,28,29)(H,30,35)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433246
PNG
(CHEMBL2376150)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C25H24N8O2/c1-13(25(35)33-11-14(8-26)12-33)29-24(34)18-9-27-23-22(18)30-19(10-28-23)21-17-6-5-16(15-3-4-15)7-20(17)32(2)31-21/h5-7,9-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)(H,29,34)/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433248
PNG
(CHEMBL2376148)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C#N)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C23H19N9O2/c1-12(23(34)32-10-14(7-25)11-32)28-22(33)16-8-26-21-20(16)29-17(9-27-21)19-15-4-3-13(6-24)5-18(15)31(2)30-19/h3-5,8-9,12,14H,10-11H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433250
PNG
(CHEMBL2376146)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H20N8O2/c1-12(22(32)30-10-13(7-23)11-30)26-21(31)15-8-24-20-19(15)27-16(9-25-20)18-14-5-3-4-6-17(14)29(2)28-18/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,31)/t12-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50433251
PNG
(CHEMBL2376145)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccc(Cl)cc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19ClN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-5-13(23)3-4-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433242
PNG
(CHEMBL2376155)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C4)C#N)C(C)(C)C)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H25ClN8O2/c1-25(2,3)21(24(36)34-11-13(8-27)12-34)31-23(35)16-9-28-22-20(16)30-17(10-29-22)19-15-6-5-14(26)7-18(15)33(4)32-19/h5-7,9-10,13,21H,11-12H2,1-4H3,(H,28,29)(H,31,35)/t21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433243
PNG
(CHEMBL2376154)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H](C4CC4)C(=O)N4CC(C4)C#N)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H21ClN8O2/c1-32-18-6-14(25)4-5-15(18)20(31-32)17-9-28-22-21(29-17)16(8-27-22)23(34)30-19(13-2-3-13)24(35)33-10-12(7-26)11-33/h4-6,8-9,12-13,19H,2-3,10-11H2,1H3,(H,27,28)(H,30,34)/t19-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433245
PNG
(CHEMBL2376151)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C(C)(C)C)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C26H28N8O2/c1-14(25(36)34-12-15(9-27)13-34)30-24(35)18-10-28-23-22(18)31-19(11-29-23)21-17-7-6-16(26(2,3)4)8-20(17)33(5)32-21/h6-8,10-11,14-15H,12-13H2,1-5H3,(H,28,29)(H,30,35)/t14-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433246
PNG
(CHEMBL2376150)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C25H24N8O2/c1-13(25(35)33-11-14(8-26)12-33)29-24(34)18-9-27-23-22(18)30-19(10-28-23)21-17-6-5-16(15-3-4-15)7-20(17)32(2)31-21/h5-7,9-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)(H,29,34)/t13-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433247
PNG
(CHEMBL2376149)
Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1
Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433248
PNG
(CHEMBL2376148)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(ccc12)C#N)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C23H19N9O2/c1-12(23(34)32-10-14(7-25)11-32)28-22(33)16-8-26-21-20(16)29-17(9-27-21)19-15-4-3-13(6-24)5-18(15)31(2)30-19/h3-5,8-9,12,14H,10-11H2,1-2H3,(H,26,27)(H,28,33)/t12-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433249
PNG
(CHEMBL2376147)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433250
PNG
(CHEMBL2376146)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccccc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H20N8O2/c1-12(22(32)30-10-13(7-23)11-30)26-21(31)15-8-24-20-19(15)27-16(9-25-20)18-14-5-3-4-6-17(14)29(2)28-18/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,31)/t12-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433251
PNG
(CHEMBL2376145)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2ccc(Cl)cc12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H19ClN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-5-13(23)3-4-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50433244
PNG
(CHEMBL2376152)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)cc(F)c12)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H18ClFN8O2/c1-10(22(34)32-8-11(5-25)9-32)28-21(33)13-6-26-20-18(13)29-15(7-27-20)19-17-14(24)3-12(23)4-16(17)31(2)30-19/h3-4,6-7,10-11H,8-9H2,1-2H3,(H,26,27)(H,28,33)/t10-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431387
PNG
(CHEMBL2348856)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClN6O2/c1-19(2,9-27)24-18(28)12-7-21-17-16(12)23-13(8-22-17)15-11-5-4-10(20)6-14(11)26(3)25-15/h4-8,27H,9H2,1-3H3,(H,21,22)(H,24,28)
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n/an/a 240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431388
PNG
(CHEMBL2348855)
Show SMILES C[C@@H](CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN6O2/c1-9(8-26)22-18(27)12-6-20-17-16(12)23-13(7-21-17)15-11-4-3-10(19)5-14(11)25(2)24-15/h3-7,9,26H,8H2,1-2H3,(H,20,21)(H,22,27)/t9-/m0/s1
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n/an/a 291n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431390
PNG
(CHEMBL2348853)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClN6O/c1-19(2,3)24-18(27)12-8-21-17-16(12)23-13(9-22-17)15-11-6-5-10(20)7-14(11)26(4)25-15/h5-9H,1-4H3,(H,21,22)(H,24,27)
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n/an/a>3.10E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431391
PNG
(CHEMBL2348852)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)
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n/an/a 512n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431398
PNG
(CHEMBL2347409)
Show SMILES Cc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)NC3(C)CCNC3)c2n1
Show InChI InChI=1S/C21H23N7O/c1-12-4-5-13-16(8-12)28(3)27-17(13)15-10-24-19-18(25-15)14(9-23-19)20(29)26-21(2)6-7-22-11-21/h4-5,8-10,22H,6-7,11H2,1-3H3,(H,23,24)(H,26,29)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431387
PNG
(CHEMBL2348856)
Show SMILES Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClN6O2/c1-19(2,9-27)24-18(28)12-7-21-17-16(12)23-13(8-22-17)15-11-5-4-10(20)6-14(11)26(3)25-15/h4-8,27H,9H2,1-3H3,(H,21,22)(H,24,28)
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n/an/a 6.48E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
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