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Found 4620 hits Enz. Inhib. hit(s) with Target = 'JAK1/TYK2' AND taxid = 9606   
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 JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified JAK1 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)


Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434787
PNG
(CHEMBL2386635)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232738
PNG
(US9346815, 284)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H20ClF2N7O3/c25-15-5-6-19(37-24(26)27)16(11-15)21-18(13-33(31-21)14-20(35)32-8-2-1-3-9-32)30-23(36)17-12-29-34-10-4-7-28-22(17)34/h1-2,4-7,10-13,24H,3,8-9,14H2,(H,30,36)
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0.150n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232664
PNG
(US9346815, 210)
Show SMILES CCCCN(C)CC#Cc1nc(c(NC(=O)c2cnn3cccnc23)s1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H23ClF2N6O2S/c1-3-4-11-33(2)12-5-7-20-31-21(17-14-16(26)8-9-19(17)36-25(27)28)24(37-20)32-23(35)18-15-30-34-13-6-10-29-22(18)34/h6,8-10,13-15,25H,3-4,11-12H2,1-2H3,(H,32,35)
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0.160n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232736
PNG
(US9346815, 282)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H19ClF4N8O3/c24-12-2-3-15(39-22(25)26)13(8-12)18-14(9-35(32-18)10-16(37)34-7-4-23(27,28)11-34)31-21(38)17-19(29)33-36-6-1-5-30-20(17)36/h1-3,5-6,8-9,22H,4,7,10-11H2,(H2,29,33)(H,31,38)
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0.170n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232796
PNG
(US9346815, 342)
Show SMILES OC(=O)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H22ClF2N7O5/c26-15-2-3-19(40-25(27)28)16(10-15)21-18(31-23(37)17-11-30-35-7-1-6-29-22(17)35)12-34(32-21)13-20(36)33-8-4-14(5-9-33)24(38)39/h1-3,6-7,10-12,14,25H,4-5,8-9,13H2,(H,31,37)(H,38,39)
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0.190n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 (837-1142) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay


J Med Chem 56: 4521-36 (2013)


Article DOI: 10.1021/jm400266t
BindingDB Entry DOI: 10.7270/Q2VX0HX0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50402074
PNG
(CHEMBL2206059)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...


Bioorg Med Chem Lett 22: 7627-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232767
PNG
(US9346815, 313)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CCNCc2ccccc2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C26H22ClF2N7O2/c27-18-7-8-22(38-26(28)29)19(13-18)23-21(33-25(37)20-15-32-36-11-4-9-31-24(20)36)16-35(34-23)12-10-30-14-17-5-2-1-3-6-17/h1-9,11,13,15-16,26,30H,10,12,14H2,(H,33,37)
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0.210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232725
PNG
(US9346815, 271)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232782
PNG
(US9346815, 328)
Show SMILES Oc1ccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H22ClF2N7O3/c27-17-4-7-22(39-26(28)29)19(12-17)23-21(33-25(38)20-14-32-36-10-1-8-31-24(20)36)15-35(34-23)11-9-30-13-16-2-5-18(37)6-3-16/h1-8,10,12,14-15,26,30,37H,9,11,13H2,(H,33,38)
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0.210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232780
PNG
(US9346815, 326)
Show SMILES Oc1ccccc1CNCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF2N7O3/c27-17-6-7-22(39-26(28)29)18(12-17)23-20(33-25(38)19-14-32-36-10-3-8-31-24(19)36)15-35(34-23)11-9-30-13-16-4-1-2-5-21(16)37/h1-8,10,12,14-15,26,30,37H,9,11,13H2,(H,33,38)
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0.210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232897
PNG
(US9346815, 443)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCS(=O)CC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C28H29ClF2N8O4S/c29-18-2-3-23(43-28(30)31)20(14-18)25-22(34-27(41)21-15-33-39-7-1-6-32-26(21)39)16-38(35-25)17-24(40)37-8-4-19(5-9-37)36-10-12-44(42)13-11-36/h1-3,6-7,14-16,19,28H,4-5,8-13,17H2,(H,34,41)
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0.230n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232515
PNG
(US9346815, 61)
Show SMILES CN1CC[C@@H]2[C@H](CCN2C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1
Show InChI InChI=1S/C27H27ClF2N8O3/c1-35-9-6-21-16(13-35)5-10-37(21)23(39)15-36-14-20(33-26(40)19-12-32-38-8-2-7-31-25(19)38)24(34-36)18-11-17(28)3-4-22(18)41-27(29)30/h2-4,7-8,11-12,14,16,21,27H,5-6,9-10,13,15H2,1H3,(H,33,40)/t16-,21-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232730
PNG
(US9346815, 276)
Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1
Show InChI InChI=1S/C29H25ClF2N8O4/c30-19-2-3-23(44-28(31)32)20(14-19)25-22(36-27(42)21-15-35-40-11-1-8-34-26(21)40)16-39(37-25)17-24(41)38-12-6-29(43,7-13-38)18-4-9-33-10-5-18/h1-5,8-11,14-16,28,43H,6-7,12-13,17H2,(H,36,42)
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0.230n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232919
PNG
(US9346815, 465)
Show SMILES CN(CC(C)(C)C#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C30H32ClF2N9O3/c1-30(2,17-34)18-39(3)20-7-11-40(12-8-20)25(43)16-41-15-23(37-28(44)22-14-36-42-10-4-9-35-27(22)42)26(38-41)21-13-19(31)5-6-24(21)45-29(32)33/h4-6,9-10,13-15,20,29H,7-8,11-12,16,18H2,1-3H3,(H,37,44)
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0.240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232921
PNG
(US9346815, 467)
Show SMILES CN(CC1(CC1)C#N)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C30H30ClF2N9O3/c1-39(18-30(17-34)7-8-30)20-5-11-40(12-6-20)25(43)16-41-15-23(37-28(44)22-14-36-42-10-2-9-35-27(22)42)26(38-41)21-13-19(31)3-4-24(21)45-29(32)33/h2-4,9-10,13-15,20,29H,5-8,11-12,16,18H2,1H3,(H,37,44)
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0.240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232744
PNG
(US9346815, 290)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-13-2-3-16(38-23(25)26)14(10-13)19-15(11-33(30-19)12-17(35)32-6-8-37-9-7-32)29-22(36)18-20(27)31-34-5-1-4-28-21(18)34/h1-5,10-11,23H,6-9,12H2,(H2,27,31)(H,29,36)
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0.240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232575
PNG
(US9346815, 121)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C32H29Cl3F2N8O3/c1-42(16-19-3-5-24(34)25(35)13-19)21-7-11-43(12-8-21)28(46)18-44-17-26(40-31(47)23-15-39-45-10-2-9-38-30(23)45)29(41-44)22-14-20(33)4-6-27(22)48-32(36)37/h2-6,9-10,13-15,17,21,32H,7-8,11-12,16,18H2,1H3,(H,40,47)
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0.240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232720
PNG
(US9346815, 266)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H25ClF2N8O4/c26-15-2-3-18(40-25(27)28)16(10-15)21-17(31-24(39)20-22(29)33-36-7-1-6-30-23(20)36)11-35(32-21)12-19(38)34-8-4-14(13-37)5-9-34/h1-3,6-7,10-11,14,25,37H,4-5,8-9,12-13H2,(H2,29,33)(H,31,39)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232724
PNG
(US9346815, 270)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232732
PNG
(US9346815, 278)
Show SMILES OC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C24H22ClF2N7O4/c25-14-2-3-19(38-24(26)27)16(10-14)21-18(30-23(37)17-11-29-34-7-1-6-28-22(17)34)12-33(31-21)13-20(36)32-8-4-15(35)5-9-32/h1-3,6-7,10-12,15,24,35H,4-5,8-9,13H2,(H,30,37)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232762
PNG
(US9346815, 308)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCCC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H22ClF2N7O3/c25-15-5-6-19(37-24(26)27)16(11-15)21-18(13-33(31-21)14-20(35)32-8-2-1-3-9-32)30-23(36)17-12-29-34-10-4-7-28-22(17)34/h4-7,10-13,24H,1-3,8-9,14H2,(H,30,36)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232867
PNG
(US9346815, 413)
Show SMILES CC(CN(C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C#N
Show InChI InChI=1S/C29H30ClF2N9O3/c1-18(13-33)15-38(2)20-6-10-39(11-7-20)25(42)17-40-16-23(36-28(43)22-14-35-41-9-3-8-34-27(22)41)26(37-40)21-12-19(30)4-5-24(21)44-29(31)32/h3-5,8-9,12,14,16,18,20,29H,6-7,10-11,15,17H2,1-2H3,(H,36,43)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232781
PNG
(US9346815, 327)
Show SMILES Oc1cccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)c1
Show InChI InChI=1S/C26H22ClF2N7O3/c27-17-5-6-22(39-26(28)29)19(12-17)23-21(33-25(38)20-14-32-36-9-2-7-31-24(20)36)15-35(34-23)10-8-30-13-16-3-1-4-18(37)11-16/h1-7,9,11-12,14-15,26,30,37H,8,10,13H2,(H,33,38)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232826
PNG
(US9346815, 372)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H27ClF2N8O3S/c1-41-12-11-34-7-9-35(10-8-34)22(38)16-36-15-20(32-25(39)19-14-31-37-6-2-5-30-24(19)37)23(33-36)18-13-17(27)3-4-21(18)40-26(28)29/h2-6,13-15,26H,7-12,16H2,1H3,(H,32,39)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232890
PNG
(US9346815, 436)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)NC2(CC2)C#N)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C28H26ClF2N9O3/c29-17-2-3-22(43-27(30)31)19(12-17)24-21(35-26(42)20-13-34-40-9-1-8-33-25(20)40)14-39(37-24)15-23(41)38-10-4-18(5-11-38)36-28(16-32)6-7-28/h1-3,8-9,12-14,18,27,36H,4-7,10-11,15H2,(H,35,42)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232750
PNG
(US9346815, 296)
Show SMILES CN[C@@H]1CCC[C@@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C24H25ClF2N8O2/c1-29-14-4-2-5-15(11-14)35-12-17(20(32-35)16-10-13(25)6-7-18(16)37-24(26)27)31-23(36)19-21(28)33-34-9-3-8-30-22(19)34/h3,6-10,12,14-15,24,29H,2,4-5,11H2,1H3,(H2,28,33)(H,31,36)/t14-,15+/m1/s1
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232576
PNG
(US9346815, 122)
Show SMILES CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C32H30BrClF2N8O3/c1-41(17-20-4-2-5-21(33)14-20)23-8-12-42(13-9-23)28(45)19-43-18-26(39-31(46)25-16-38-44-11-3-10-37-30(25)44)29(40-43)24-15-22(34)6-7-27(24)47-32(35)36/h2-7,10-11,14-16,18,23,32H,8-9,12-13,17,19H2,1H3,(H,39,46)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232920
PNG
(US9346815, 466)
Show SMILES CC(C)(CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C#N
Show InChI InChI=1S/C29H30ClF2N9O3/c1-29(2,16-33)17-35-19-6-10-39(11-7-19)24(42)15-40-14-22(37-27(43)21-13-36-41-9-3-8-34-26(21)41)25(38-40)20-12-18(30)4-5-23(20)44-28(31)32/h3-5,8-9,12-14,19,28,35H,6-7,10-11,15,17H2,1-2H3,(H,37,43)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232754
PNG
(US9346815, 300)
Show SMILES CCN(Cc1ccnc(Cl)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H22Cl2F2N8O3/c1-2-37(13-16-6-8-32-22(29)10-16)23(40)15-38-14-20(35-26(41)19-12-34-39-9-3-7-33-25(19)39)24(36-38)18-11-17(28)4-5-21(18)42-27(30)31/h3-12,14,27H,2,13,15H2,1H3,(H,35,41)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232851
PNG
(US9346815, 397)
Show SMILES CCOC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H27ClF2N8O5/c1-2-42-23(40)16-35-8-10-36(11-9-35)22(39)15-37-14-20(33-26(41)19-13-32-38-7-3-6-31-25(19)38)24(34-37)18-12-17(28)4-5-21(18)43-27(29)30/h3-7,12-14,27H,2,8-11,15-16H2,1H3,(H,33,41)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232747
PNG
(US9346815, 293)
Show SMILES CN(C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C1(CO)CC1
Show InChI InChI=1S/C24H22ClF2N7O4/c1-32(24(13-35)5-6-24)19(36)12-33-11-17(30-22(37)16-10-29-34-8-2-7-28-21(16)34)20(31-33)15-9-14(25)3-4-18(15)38-23(26)27/h2-4,7-11,23,35H,5-6,12-13H2,1H3,(H,30,37)
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0.290n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232885
PNG
(US9346815, 431)
Show SMILES CN(C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)C1(CC1)C#N
Show InChI InChI=1S/C29H28ClF2N9O3/c1-38(29(17-33)7-8-29)19-5-11-39(12-6-19)24(42)16-40-15-22(36-27(43)21-14-35-41-10-2-9-34-26(21)41)25(37-40)20-13-18(30)3-4-23(20)44-28(31)32/h2-4,9-10,13-15,19,28H,5-8,11-12,16H2,1H3,(H,36,43)
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Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50402074
PNG
(CHEMBL2206059)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...


Bioorg Med Chem Lett 22: 7627-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232868
PNG
(US9346815, 414)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCC[C@@H](C2)C#N)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C30H30ClF2N9O3/c31-20-4-5-25(45-30(32)33)22(13-20)27-24(37-29(44)23-15-36-42-10-2-8-35-28(23)42)17-41(38-27)18-26(43)39-11-6-21(7-12-39)40-9-1-3-19(14-34)16-40/h2,4-5,8,10,13,15,17,19,21,30H,1,3,6-7,9,11-12,16,18H2,(H,37,44)/t19-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232909
PNG
(US9346815, 455)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(Cc2cn(nn2)C2CCN(CC2)C2CCOC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C29H29ClF2N10O3/c30-18-2-3-25(45-29(31)32)22(12-18)26-24(35-28(43)23-13-34-41-8-1-7-33-27(23)41)16-40(37-26)14-19-15-42(38-36-19)20-4-9-39(10-5-20)21-6-11-44-17-21/h1-3,7-8,12-13,15-16,20-21,29H,4-6,9-11,14,17H2,(H,35,43)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232574
PNG
(US9346815, 120)
Show SMILES CN(Cc1ccc(cc1)C(C)(C)C)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C36H39ClF2N8O3/c1-36(2,3)24-8-6-23(7-9-24)20-44(4)26-12-16-45(17-13-26)31(48)22-46-21-29(42-34(49)28-19-41-47-15-5-14-40-33(28)47)32(43-46)27-18-25(37)10-11-30(27)50-35(38)39/h5-11,14-15,18-19,21,26,35H,12-13,16-17,20,22H2,1-4H3,(H,42,49)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232834
PNG
(US9346815, 380)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(Cc3ncco3)CC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C27H24ClF2N9O4/c28-17-2-3-21(43-27(29)30)18(12-17)24-20(34-26(41)19-13-33-39-6-1-4-32-25(19)39)14-38(35-24)16-23(40)37-9-7-36(8-10-37)15-22-31-5-11-42-22/h1-6,11-14,27H,7-10,15-16H2,(H,34,41)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232838
PNG
(US9346815, 384)
Show SMILES C[C@@H](NCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1
Show InChI InChI=1S/C27H24ClF2N7O2/c1-17(18-6-3-2-4-7-18)31-11-13-36-16-22(34-26(38)21-15-33-37-12-5-10-32-25(21)37)24(35-36)20-14-19(28)8-9-23(20)39-27(29)30/h2-10,12,14-17,27,31H,11,13H2,1H3,(H,34,38)/t17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232743
PNG
(US9346815, 289)
Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccccc1
Show InChI InChI=1S/C30H26ClF2N7O4/c31-20-7-8-24(44-29(32)33)21(15-20)26-23(36-28(42)22-16-35-40-12-4-11-34-27(22)40)17-39(37-26)18-25(41)38-13-9-30(43,10-14-38)19-5-2-1-3-6-19/h1-8,11-12,15-17,29,43H,9-10,13-14,18H2,(H,36,42)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232783
PNG
(US9346815, 329)
Show SMILES COC(=O)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H27ClF2N8O5/c1-42-23(40)13-32-17-5-9-36(10-6-17)22(39)15-37-14-20(34-26(41)19-12-33-38-8-2-7-31-25(19)38)24(35-37)18-11-16(28)3-4-21(18)43-27(29)30/h2-4,7-8,11-12,14,17,27,32H,5-6,9-10,13,15H2,1H3,(H,34,41)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232913
PNG
(US9346815, 459)
Show SMILES CN(C1COC1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C28H29ClF2N8O4/c1-36(19-15-42-16-19)18-5-9-37(10-6-18)24(40)14-38-13-22(34-27(41)21-12-33-39-8-2-7-32-26(21)39)25(35-38)20-11-17(29)3-4-23(20)43-28(30)31/h2-4,7-8,11-13,18-19,28H,5-6,9-10,14-16H2,1H3,(H,34,41)
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0.300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232888
PNG
(US9346815, 434)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CC2)N2CCSCC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C28H29ClF2N8O3S/c29-18-2-3-23(42-28(30)31)20(14-18)25-22(34-27(41)21-15-33-39-7-1-6-32-26(21)39)16-38(35-25)17-24(40)37-8-4-19(5-9-37)36-10-12-43-13-11-36/h1-3,6-7,14-16,19,28H,4-5,8-13,17H2,(H,34,41)
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0.310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232917
PNG
(US9346815, 463)
Show SMILES CC(F)(F)CNC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H27ClF4N8O3/c1-27(31,32)15-34-17-5-9-38(10-6-17)22(41)14-39-13-20(36-25(42)19-12-35-40-8-2-7-33-24(19)40)23(37-39)18-11-16(28)3-4-21(18)43-26(29)30/h2-4,7-8,11-13,17,26,34H,5-6,9-10,14-15H2,1H3,(H,36,42)
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0.310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232729
PNG
(US9346815, 275)
Show SMILES OCCOC1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H26ClF2N7O5/c27-16-2-3-21(41-26(28)29)18(12-16)23-20(32-25(39)19-13-31-36-7-1-6-30-24(19)36)14-35(33-23)15-22(38)34-8-4-17(5-9-34)40-11-10-37/h1-3,6-7,12-14,17,26,37H,4-5,8-11,15H2,(H,32,39)
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0.310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232776
PNG
(US9346815, 322)
Show SMILES COC(=O)CN1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H25ClF2N8O5/c1-41-22(39)15-34-7-9-35(10-8-34)21(38)14-36-13-19(32-25(40)18-12-31-37-6-2-5-30-24(18)37)23(33-36)17-11-16(27)3-4-20(17)42-26(28)29/h2-6,11-13,26H,7-10,14-15H2,1H3,(H,32,40)
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0.310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232774
PNG
(US9346815, 320)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C30H27ClF2N8O3/c31-21-7-8-25(44-30(32)33)22(15-21)27-24(36-29(43)23-16-35-41-10-4-9-34-28(23)41)18-40(37-27)19-26(42)39-13-11-38(12-14-39)17-20-5-2-1-3-6-20/h1-10,15-16,18,30H,11-14,17,19H2,(H,36,43)
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0.310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
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