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Compile Data Set for Download or QSAR

Found 398 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1465   
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 JAK2


(Homo sapiens (Human))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
Show InChI InChI=1S/C26H34FN11O2/c1-32-7-9-33(10-8-32)23(39)17-36-14-19(11-28-36)29-25-30-24-22(3-2-6-37(24)31-25)34-15-20-4-5-21(16-34)38(20)26(40)35-12-18(27)13-35/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,29,31)
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0.200n/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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
Show InChI InChI=1S/C28H37F2N11O2/c1-35-11-13-36(14-12-35)24(42)19-39-16-20(15-31-39)32-26-33-25-23(3-2-8-40(25)34-26)38-17-21-4-5-22(18-38)41(21)27(43)37-9-6-28(29,30)7-10-37/h2-3,8,15-16,21-22H,4-7,9-14,17-19H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
Show InChI InChI=1S/C31H41F3N10O2/c32-31(33,34)11-10-27(45)44-24-8-9-25(44)20-41(19-24)26-7-4-12-43-29(26)37-30(38-43)36-22-17-35-42(18-22)21-28(46)40-15-13-39(14-16-40)23-5-2-1-3-6-23/h4,7,12,17-18,23-25H,1-3,5-6,8-11,13-16,19-21H2,(H,36,38)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324428
PNG
(2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1 |r|
Show InChI InChI=1S/C30H37N9O2/c1-35-12-14-36(15-13-35)27(40)20-38-19-25(16-31-38)32-30-33-29-26(8-5-11-39(29)34-30)37-17-23-9-10-24(18-37)28(23)41-21-22-6-3-2-4-7-22/h2-8,11,16,19,23-24,28H,9-10,12-15,17-18,20-21H2,1H3,(H,32,34)/t23-,24+,28+
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-23-8-9-24(18-36)39(23)22-6-4-20(29)5-7-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324572
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H33F3N10O3S/c1-37-11-13-38(14-12-37)26(43)19-40-16-21(15-33-40)34-28-35-27-25(3-2-10-41(27)36-28)39-17-22-6-7-23(18-39)42(22)46(44,45)24-8-4-20(5-9-24)29(30,31)32/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C27H34F3N11O3/c1-35-7-9-36(10-8-35)22(42)15-39-12-18(11-31-39)32-24-33-23-21(3-2-6-40(23)34-24)37-13-19-4-5-20(14-37)41(19)25(43)38-16-26(44,17-38)27(28,29)30/h2-3,6,11-12,19-20,44H,4-5,7-10,13-17H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
Show InChI InChI=1S/C28H37F2N11O2/c1-35-11-13-36(14-12-35)24(42)19-39-16-20(15-31-39)32-26-33-25-23(3-2-8-40(25)34-26)38-17-21-4-5-22(18-38)41(21)27(43)37-9-6-28(29,30)7-10-37/h2-3,8,15-16,21-22H,4-7,9-14,17-19H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324513
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)
Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)|
Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23?
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-10-12-35(13-11-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(6-3-9-38(27)33-28)36-17-22-7-8-23(18-36)39(22)43(41,42)24-5-2-4-20(29)14-24/h2-6,9,14-16,22-23H,7-8,10-13,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-10-12-35(13-11-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(6-3-9-38(27)33-28)36-17-22-7-8-23(18-36)39(22)43(41,42)24-5-2-4-20(29)14-24/h2-6,9,14-16,22-23H,7-8,10-13,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
Show InChI InChI=1S/C26H34FN11O2/c1-32-7-9-33(10-8-32)23(39)17-36-14-19(11-28-36)29-25-30-24-22(3-2-6-37(24)31-25)34-15-20-4-5-21(16-34)38(20)26(40)35-12-18(27)13-35/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,29,31)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C24H34N10O3S/c1-3-38(36,37)34-19-6-7-20(34)16-31(15-19)21-5-4-8-33-23(21)27-24(28-33)26-18-13-25-32(14-18)17-22(35)30-11-9-29(2)10-12-30/h4-5,8,13-14,19-20H,3,6-7,9-12,15-17H2,1-2H3,(H,26,28)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324626
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[rac-(1S,5R)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@H]3OCc2ccncc2)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-35-11-13-36(14-12-35)26(40)19-38-18-24(15-31-38)32-29-33-28-25(3-2-10-39(28)34-29)37-16-22-4-5-23(17-37)27(22)41-20-21-6-8-30-9-7-21/h2-3,6-10,15,18,22-23,27H,4-5,11-14,16-17,19-20H2,1H3,(H,32,34)/t22-,23+,27-
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
Show InChI InChI=1S/C31H41F3N10O2/c32-31(33,34)11-10-27(45)44-24-8-9-25(44)20-41(19-24)26-7-4-12-43-29(26)37-30(38-43)36-22-17-35-42(18-22)21-28(46)40-15-13-39(14-16-40)23-5-2-1-3-6-23/h4,7,12,17-18,23-25H,1-3,5-6,8-11,13-16,19-21H2,(H,36,38)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-12.99,1.1,;-11.75,.19,;-10.34,.81,;-9.1,-.11,;-7.69,.51,;-6.45,-.4,;-5.04,.21,;-4.87,1.74,;-6.11,2.66,;-7.52,2.04,;-3.45,2.36,;-3.28,3.89,;-2.21,1.45,;-.8,2.07,;-.47,3.57,;1.06,3.72,;1.84,5.05,;3.38,5.05,;4.29,3.81,;5.75,4.28,;7.08,3.52,;8.42,4.29,;8.41,5.83,;7.08,6.6,;5.75,5.82,;4.28,6.3,;7.09,1.98,;5.76,1.2,;5.76,-.34,;6.37,.51,;7.82,.52,;8.43,-.33,;8.42,1.21,;7.09,-1.1,;7.1,-2.64,;5.77,-3.42,;8.43,-3.41,;8.84,-4.9,;10.32,-4.49,;9.92,-3.01,;11.66,-5.26,;10.89,-6.6,;12.43,-3.93,;12.99,-6.03,;1.68,2.31,;.53,1.29,)|
Show InChI InChI=1S/C30H39F3N10O2S/c1-46-12-11-38-7-9-39(10-8-38)26(44)19-41-16-22(15-34-41)35-29-36-27-25(3-2-6-42(27)37-29)40-17-23-4-5-24(18-40)43(23)28(45)20-13-21(14-20)30(31,32)33/h2-3,6,15-16,20-21,23-24H,4-5,7-14,17-19H2,1H3,(H,35,37)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324524
PNG
(2-[4-[[8-[8-(4- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O3S/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-22-6-7-23(18-36)39(22)43(41,42)24-8-4-20(29)5-9-24/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C28H33ClN10O/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-23-8-9-24(18-36)39(23)22-6-4-20(29)5-7-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324559
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C28H36F3N11O2/c1-36-8-10-37(11-9-36)24(43)18-40-15-20(12-32-40)33-26-34-25-23(6-3-7-41(25)35-26)38-16-21-4-2-5-22(17-38)42(21)27(44)39-13-19(14-39)28(29,30)31/h3,6-7,12,15,19,21-22H,2,4-5,8-11,13-14,16-18H2,1H3,(H,33,35)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C27H34F3N11O3/c1-35-7-9-36(10-8-35)22(42)15-39-12-18(11-31-39)32-24-33-23-21(3-2-6-40(23)34-24)37-13-19-4-5-20(14-37)41(19)25(43)38-16-26(44,17-38)27(28,29)30/h2-3,6,11-12,19-20,44H,4-5,7-10,13-17H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C29H33N11O3S/c1-35-11-13-36(14-12-35)27(41)20-38-17-22(16-31-38)32-29-33-28-25(6-4-10-39(28)34-29)37-18-23-8-9-24(19-37)40(23)44(42,43)26-7-3-2-5-21(26)15-30/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-12.99,1.1,;-11.75,.19,;-10.34,.81,;-9.1,-.11,;-7.69,.51,;-6.45,-.4,;-5.04,.21,;-4.87,1.74,;-6.11,2.66,;-7.52,2.04,;-3.45,2.36,;-3.28,3.89,;-2.21,1.45,;-.8,2.07,;-.47,3.57,;1.06,3.72,;1.84,5.05,;3.38,5.05,;4.29,3.81,;5.75,4.28,;7.08,3.52,;8.42,4.29,;8.41,5.83,;7.08,6.6,;5.75,5.82,;4.28,6.3,;7.09,1.98,;5.76,1.2,;5.76,-.34,;6.37,.51,;7.82,.52,;8.43,-.33,;8.42,1.21,;7.09,-1.1,;7.1,-2.64,;5.77,-3.42,;8.43,-3.41,;8.84,-4.9,;10.32,-4.49,;9.92,-3.01,;11.66,-5.26,;10.89,-6.6,;12.43,-3.93,;12.99,-6.03,;1.68,2.31,;.53,1.29,)|
Show InChI InChI=1S/C30H39F3N10O2S/c1-46-12-11-38-7-9-39(10-8-38)26(44)19-41-16-22(15-34-41)35-29-36-27-25(3-2-6-42(27)37-29)40-17-23-4-5-24(18-40)43(23)28(45)20-13-21(14-20)30(31,32)33/h2-3,6,15-16,20-21,23-24H,4-5,7-14,17-19H2,1H3,(H,35,37)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324466
PNG
(1-(4-tetrahydropyran-4- ylpiperazin-1-yl)-2-[4-[[8...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCOCC4)c3)nc12
Show InChI InChI=1S/C31H40F3N11O3/c32-31(33,34)21-15-42(16-21)30(47)45-24-3-4-25(45)19-41(18-24)26-2-1-7-44-28(26)37-29(38-44)36-22-14-35-43(17-22)20-27(46)40-10-8-39(9-11-40)23-5-12-48-13-6-23/h1-2,7,14,17,21,23-25H,3-6,8-13,15-16,18-20H2,(H,36,38)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C29H33N11O3S/c1-35-11-13-36(14-12-35)27(41)20-38-17-22(16-31-38)32-29-33-28-25(6-4-10-39(28)34-29)37-18-23-8-9-24(19-37)40(23)44(42,43)26-7-3-2-5-21(26)15-30/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324515
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[(1S,5R)-8-(3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccnc2)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-35-10-12-36(13-11-35)26(40)19-38-18-24(15-31-38)32-29-33-28-25(5-3-9-39(28)34-29)37-16-22-6-7-23(17-37)27(22)41-20-21-4-2-8-30-14-21/h2-5,8-9,14-15,18,22-23,27H,6-7,10-13,16-17,19-20H2,1H3,(H,32,34)/t22-,23+,27+
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324594
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(thiophene...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccsc2)cn1
Show InChI InChI=1S/C27H32N10O2S/c1-32-8-10-33(11-9-32)24(38)17-35-14-20(13-28-35)29-27-30-25-23(3-2-7-36(25)31-27)34-15-21-4-5-22(16-34)37(21)26(39)19-6-12-40-18-19/h2-3,6-7,12-14,18,21-22H,4-5,8-11,15-17H2,1H3,(H,29,31)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324602
PNG
(2-[4-[[8-[8-[(3- chlorophenyl)methylsulfonyl]- 3,8...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2cccc(Cl)c2)cn1
Show InChI InChI=1S/C29H35ClN10O3S/c1-35-10-12-36(13-11-35)27(41)19-38-16-23(15-31-38)32-29-33-28-26(6-3-9-39(28)34-29)37-17-24-7-8-25(18-37)40(24)44(42,43)20-21-4-2-5-22(30)14-21/h2-6,9,14-16,24-25H,7-8,10-13,17-20H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C24H34N10O3S/c1-3-38(36,37)34-19-6-7-20(34)16-31(15-19)21-5-4-8-33-23(21)27-24(28-33)26-18-13-25-32(14-18)17-22(35)30-11-9-29(2)10-12-30/h4-5,8,13-14,19-20H,3,6-7,9-12,15-17H2,1-2H3,(H,26,28)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324631
PNG
(1-[4-(oxetan-3- yl)piperazin-1-yl]-2-[4- [[8-[8-[3...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4COC4)c3)nc12
Show InChI InChI=1S/C29H36F3N11O3/c30-29(31,32)19-11-40(12-19)28(45)43-21-3-4-22(43)15-39(14-21)24-2-1-5-42-26(24)35-27(36-42)34-20-10-33-41(13-20)16-25(44)38-8-6-37(7-9-38)23-17-46-18-23/h1-2,5,10,13,19,21-23H,3-4,6-9,11-12,14-18H2,(H,34,36)
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0.400n/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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324632
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[rac-(1S,5R)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccc(CO)c2)cn1 |r|
Show InChI InChI=1S/C31H39N9O3/c1-36-10-12-37(13-11-36)28(42)19-39-18-26(15-32-39)33-31-34-30-27(6-3-9-40(30)35-31)38-16-24-7-8-25(17-38)29(24)43-21-23-5-2-4-22(14-23)20-41/h2-6,9,14-15,18,24-25,29,41H,7-8,10-13,16-17,19-21H2,1H3,(H,33,35)/t24-,25+,29+
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0.400n/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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324429
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C27H34F3N11O2/c1-35-7-9-36(10-8-35)23(42)17-39-14-19(11-31-39)32-25-33-24-22(3-2-6-40(24)34-25)37-15-20-4-5-21(16-37)41(20)26(43)38-12-18(13-38)27(28,29)30/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,32,34)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324525
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4- [[8-[8-[...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12
Show InChI InChI=1S/C29H36F3N11O2S/c30-29(31,32)19-11-40(12-19)28(45)43-21-3-4-22(43)15-39(14-21)24-2-1-5-42-26(24)35-27(36-42)34-20-10-33-41(13-20)16-25(44)38-8-6-37(7-9-38)23-17-46-18-23/h1-2,5,10,13,19,21-23H,3-4,6-9,11-12,14-18H2,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324527
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-(thietane-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1
Show InChI InChI=1S/C27H36N10O2S/c1-32-8-10-33(11-9-32)24(38)16-35-13-20(12-28-35)29-27-30-25-23(6-3-7-36(25)31-27)34-14-21-4-2-5-22(15-34)37(21)26(39)19-17-40-18-19/h3,6-7,12-13,19,21-22H,2,4-5,8-11,14-18H2,1H3,(H,29,31)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324539
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- methyl...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C29H36N10O3S2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-26(4-3-11-38(28)33-29)36-18-22-5-6-23(19-36)39(22)44(41,42)25-9-7-24(43-2)8-10-25/h3-4,7-11,16-17,22-23H,5-6,12-15,18-20H2,1-2H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324559
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C28H36F3N11O2/c1-36-8-10-37(11-9-36)24(43)18-40-15-20(12-32-40)33-26-34-25-23(6-3-7-41(25)35-26)38-16-21-4-2-5-22(17-38)42(21)27(44)39-13-19(14-39)28(29,30)31/h3,6-7,12,15,19,21-22H,2,4-5,8-11,13-14,16-18H2,1H3,(H,33,35)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324562
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...)
Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)|
Show InChI InChI=1S/C29H37F3N10O2/c1-18(26(43)38-10-8-37(2)9-11-38)41-15-21(14-33-41)34-28-35-25-24(4-3-7-40(25)36-28)39-16-22-5-6-23(17-39)42(22)27(44)19-12-20(13-19)29(30,31)32/h3-4,7,14-15,18-20,22-23H,5-6,8-13,16-17H2,1-2H3,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324565
PNG
(4-[[(1S,5R)-3-[2-[[1-[2-(4- methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccc(cc2)C#N)cn1 |r|
Show InChI InChI=1S/C31H36N10O2/c1-37-11-13-38(14-12-37)28(42)20-40-19-26(16-33-40)34-31-35-30-27(3-2-10-41(30)36-31)39-17-24-8-9-25(18-39)29(24)43-21-23-6-4-22(15-32)5-7-23/h2-7,10,16,19,24-25,29H,8-9,11-14,17-18,20-21H2,1H3,(H,34,36)/t24-,25+,29+
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324569
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(2- methyl...)
Show SMILES CSc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C29H36N10O3S2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-24(6-5-11-38(28)33-29)36-18-22-9-10-23(19-36)39(22)44(41,42)26-8-4-3-7-25(26)43-2/h3-8,11,16-17,22-23H,9-10,12-15,18-20H2,1-2H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324569
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(2- methyl...)
Show SMILES CSc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
Show InChI InChI=1S/C29H36N10O3S2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-24(6-5-11-38(28)33-29)36-18-22-9-10-23(19-36)39(22)44(41,42)26-8-4-3-7-25(26)43-2/h3-8,11,16-17,22-23H,9-10,12-15,18-20H2,1-2H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324571
PNG
(2-[4-[[8-[8-(4- fluorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(F)cc2)cn1
Show InChI InChI=1S/C28H33FN10O3S/c1-34-11-13-35(14-12-34)26(40)19-37-16-21(15-30-37)31-28-32-27-25(3-2-10-38(27)33-28)36-17-22-6-7-23(18-36)39(22)43(41,42)24-8-4-20(29)5-9-24/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324572
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
Show InChI InChI=1S/C29H33F3N10O3S/c1-37-11-13-38(14-12-37)26(43)19-40-16-21(15-33-40)34-28-35-27-25(3-2-10-41(27)36-28)39-17-22-6-7-23(18-39)42(22)46(44,45)24-8-4-20(5-9-24)29(30,31)32/h2-5,8-10,15-16,22-23H,6-7,11-14,17-19H2,1H3,(H,34,36)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324577
PNG
(2-[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-et...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C30H33N11O2/c1-36-11-13-37(14-12-36)27(42)20-39-17-22(16-32-39)33-30-34-28-26(7-4-10-40(28)35-30)38-18-23-8-9-24(19-38)41(23)29(43)25-6-3-2-5-21(25)15-31/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,33,35)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324513
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)
Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)|
Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23?
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324486
PNG
(1-(4-ethylpiperazin-1-yl)- 2-[4-[[8-[8-[3- (triflu...)
Show SMILES CCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
Show InChI InChI=1S/C28H36F3N11O2/c1-2-36-8-10-37(11-9-36)24(43)18-40-15-20(12-32-40)33-26-34-25-23(4-3-7-41(25)35-26)38-16-21-5-6-22(17-38)42(21)27(44)39-13-19(14-39)28(29,30)31/h3-4,7,12,15,19,21-22H,2,5-6,8-11,13-14,16-18H2,1H3,(H,33,35)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324591
PNG
(4,4,4-trifluoro-3-hydroxy- 1-[3-[2-[[1-[2-(4- meth...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(O)C(F)(F)F)cn1
Show InChI InChI=1S/C26H33F3N10O3/c1-34-7-9-35(10-8-34)23(42)16-37-13-17(12-30-37)31-25-32-24-20(3-2-6-38(24)33-25)36-14-18-4-5-19(15-36)39(18)22(41)11-21(40)26(27,28)29/h2-3,6,12-13,18-19,21,40H,4-5,7-11,14-16H2,1H3,(H,31,33)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324610
PNG
(2-[4-[[8-[8-(3,3- difluoroazetidine-1- carbonyl)-3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)(F)C2)cn1
Show InChI InChI=1S/C26H33F2N11O2/c1-33-7-9-34(10-8-33)22(40)15-37-12-18(11-29-37)30-24-31-23-21(3-2-6-38(23)32-24)35-13-19-4-5-20(14-35)39(19)25(41)36-16-26(27,28)17-36/h2-3,6,11-12,19-20H,4-5,7-10,13-17H2,1H3,(H,30,32)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324610
PNG
(2-[4-[[8-[8-(3,3- difluoroazetidine-1- carbonyl)-3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)(F)C2)cn1
Show InChI InChI=1S/C26H33F2N11O2/c1-33-7-9-34(10-8-33)22(40)15-37-12-18(11-29-37)30-24-31-23-21(3-2-6-38(23)32-24)35-13-19-4-5-20(14-35)39(19)25(41)36-16-26(27,28)17-36/h2-3,6,11-12,19-20H,4-5,7-10,13-17H2,1H3,(H,30,32)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324622
PNG
(4-[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-et...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C30H33N11O2/c1-36-11-13-37(14-12-36)27(42)20-39-17-23(16-32-39)33-30-34-28-26(3-2-10-40(28)35-30)38-18-24-8-9-25(19-38)41(24)29(43)22-6-4-21(15-31)5-7-22/h2-7,10,16-17,24-25H,8-9,11-14,18-20H2,1H3,(H,33,35)
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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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
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