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Compile Data Set for Download or QSAR

Found 1144 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2450   
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))		BDBM366982
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(4-pyridyl)-1,4- di...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCN(CC3)c3ccncc3)nc12 |c:11|
Show InChI InChI=1S/C32H33F3N8O2/c33-32(34,35)13-8-28(44)41-19-11-23(12-20-41)27-3-1-18-43-29(27)38-31(39-43)37-25-6-4-24(5-7-25)30(45)42-17-2-16-40(21-22-42)26-9-14-36-15-10-26/h1,3-7,9-11,14-15,18H,2,8,12-13,16-17,19-22H2,(H,37,39)
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 0.0800n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366699
PNG
(3-[[1-[2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxyme...)
Show SMILES CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C32H39ClN10O2/c1-39(14-3-13-34)27-9-16-41(17-10-27)29(45)22-42-21-26(20-35-42)36-31-37-30-28(4-2-15-43(30)38-31)40-18-11-32(23-44,12-19-40)24-5-7-25(33)8-6-24/h2,4-8,15,20-21,27,44H,3,9-12,14,16-19,22-23H2,1H3,(H,36,38)
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 0.130n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366678
PNG
(US9873709, Example 1-275 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CN1CCC2CN(CC12)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H36ClN7O2/c1-37-16-12-23-19-39(20-28(23)37)30(42)22-4-10-26(11-5-22)34-31-35-29-27(3-2-15-40(29)36-31)38-17-13-32(21-41,14-18-38)24-6-8-25(33)9-7-24/h2-11,15,23,28,41H,12-14,16-21H2,1H3,(H,34,36)
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 0.140n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366686
PNG
(US9873709, Example 1-283 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CNC1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C30H35N7O2/c1-21-5-9-23(10-6-21)30(20-38)13-16-35(17-14-30)26-4-3-15-37-27(26)33-29(34-37)32-24-11-7-22(8-12-24)28(39)36-18-25(19-36)31-2/h3-12,15,25,31,38H,13-14,16-20H2,1-2H3,(H,32,34)
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 0.150n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366677
PNG
(US9873709, Example 1-274 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CN1CCCC11CC(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |(-8.37,3.53,;-7.6,4.86,;-8.5,6.1,;-7.6,7.35,;-6.13,6.87,;-6.13,5.33,;-4.65,5.73,;-4.25,4.25,;-5.73,3.85,;-2.91,3.48,;-2.91,1.94,;-1.58,4.25,;-.25,3.48,;1.09,4.25,;1.09,5.79,;2.42,6.56,;3.76,5.79,;3.92,4.25,;5.42,3.93,;6.19,2.6,;7.73,2.6,;8.5,3.93,;7.73,5.27,;6.19,5.27,;5.16,6.41,;5.42,1.27,;3.88,1.27,;3.11,-.07,;3.88,-1.4,;2.4,-1.8,;1.31,-.71,;5.42,-1.4,;6.19,-.07,;4.28,-2.89,;3.19,-3.98,;3.59,-5.46,;5.08,-5.86,;5.48,-7.35,;6.17,-4.77,;5.77,-3.29,;-.25,6.56,;-1.58,5.79,)|
Show InChI InChI=1S/C33H37ClN6O2/c1-38-16-3-13-33(38)20-24(21-33)29(42)23-5-11-27(12-6-23)35-31-36-30-28(4-2-17-40(30)37-31)39-18-14-32(22-41,15-19-39)25-7-9-26(34)10-8-25/h2,4-12,17,24,41H,3,13-16,18-22H2,1H3,(H,35,37)
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 0.170n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366693
PNG
(US9873709, Example 1-290 | formic acid; methyl 3- ...)
Show SMILES COC(=O)CCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C31H38ClN9O4/c1-45-28(44)8-12-37-15-17-39(18-16-37)27(43)21-40-20-25(19-33-40)34-30-35-29-26(3-2-11-41(29)36-30)38-13-9-31(22-42,10-14-38)23-4-6-24(32)7-5-23/h2-7,11,19-20,42H,8-10,12-18,21-22H2,1H3,(H,34,36)
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 0.180n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366686
PNG
(US9873709, Example 1-283 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CNC1CN(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C30H35N7O2/c1-21-5-9-23(10-6-21)30(20-38)13-16-35(17-14-30)26-4-3-15-37-27(26)33-29(34-37)32-24-11-7-22(8-12-24)28(39)36-18-25(19-36)31-2/h3-12,15,25,31,38H,13-14,16-20H2,1-2H3,(H,32,34)
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 0.180n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367096
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridyl)piperaz...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC3)c3cccnc3)nc12 |c:11|
Show InChI InChI=1S/C31H31F3N8O2/c32-31(33,34)12-9-27(43)40-15-10-22(11-16-40)26-4-2-14-42-28(26)37-30(38-42)36-24-7-5-23(6-8-24)29(44)41-19-17-39(18-20-41)25-3-1-13-35-21-25/h1-8,10,13-14,21H,9,11-12,15-20H2,(H,36,38)
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 0.180n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366694
PNG
(2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1...)
Show SMILES CNC1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C29H36ClN9O2/c1-31-23-8-13-37(14-9-23)26(41)19-38-18-24(17-32-38)33-28-34-27-25(3-2-12-39(27)35-28)36-15-10-29(20-40,11-16-36)21-4-6-22(30)7-5-21/h2-7,12,17-18,23,31,40H,8-11,13-16,19-20H2,1H3,(H,33,35)
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 0.180n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366448
PNG
(4-[[8-[4- (cyanomethyl)-4- phenyl-1-piperidyl]- [1...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC#N)(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C33H38N8O/c1-38-21-14-28(15-22-38)39(2)31(42)25-10-12-27(13-11-25)35-32-36-30-29(9-6-20-41(30)37-32)40-23-17-33(16-19-34,18-24-40)26-7-4-3-5-8-26/h3-13,20,28H,14-18,21-24H2,1-2H3,(H,35,37)
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 0.200n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366862
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(2- pyridyl)piperid...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)c3ccccn3)nc12 |c:11|
Show InChI InChI=1S/C32H32F3N7O2/c33-32(34,35)15-10-28(43)40-18-11-22(12-19-40)26-4-3-17-42-29(26)38-31(39-42)37-25-8-6-24(7-9-25)30(44)41-20-13-23(14-21-41)27-5-1-2-16-36-27/h1-9,11,16-17,23H,10,12-15,18-21H2,(H,37,39)
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 0.200n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366677
PNG
(US9873709, Example 1-274 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CN1CCCC11CC(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |(-8.37,3.53,;-7.6,4.86,;-8.5,6.1,;-7.6,7.35,;-6.13,6.87,;-6.13,5.33,;-4.65,5.73,;-4.25,4.25,;-5.73,3.85,;-2.91,3.48,;-2.91,1.94,;-1.58,4.25,;-.25,3.48,;1.09,4.25,;1.09,5.79,;2.42,6.56,;3.76,5.79,;3.92,4.25,;5.42,3.93,;6.19,2.6,;7.73,2.6,;8.5,3.93,;7.73,5.27,;6.19,5.27,;5.16,6.41,;5.42,1.27,;3.88,1.27,;3.11,-.07,;3.88,-1.4,;2.4,-1.8,;1.31,-.71,;5.42,-1.4,;6.19,-.07,;4.28,-2.89,;3.19,-3.98,;3.59,-5.46,;5.08,-5.86,;5.48,-7.35,;6.17,-4.77,;5.77,-3.29,;-.25,6.56,;-1.58,5.79,)|
Show InChI InChI=1S/C33H37ClN6O2/c1-38-16-3-13-33(38)20-24(21-33)29(42)23-5-11-27(12-6-23)35-31-36-30-28(4-2-17-40(30)37-31)39-18-14-32(22-41,15-19-39)25-7-9-26(34)10-8-25/h2,4-12,17,24,41H,3,13-16,18-22H2,1H3,(H,35,37)
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 0.200n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366699
PNG
(3-[[1-[2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxyme...)
Show SMILES CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C32H39ClN10O2/c1-39(14-3-13-34)27-9-16-41(17-10-27)29(45)22-42-21-26(20-35-42)36-31-37-30-28(4-2-15-43(30)38-31)40-18-11-32(23-44,12-19-40)24-5-7-25(33)8-6-24/h2,4-8,15,20-21,27,44H,3,9-12,14,16-19,22-23H2,1H3,(H,36,38)
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 0.200n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366685
PNG
(US9873709, Example 1-282 | [4-[[8-[4-(4- chlorophe...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C36H44ClN7O3/c1-25-22-43(23-26(2)47-25)31-13-18-42(19-14-31)34(46)27-5-11-30(12-6-27)38-35-39-33-32(4-3-17-44(33)40-35)41-20-15-36(24-45,16-21-41)28-7-9-29(37)10-8-28/h3-12,17,25-26,31,45H,13-16,18-24H2,1-2H3,(H,38,40)/t25-,26+
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 0.210n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366921
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(5-methyl-2- pyridy...)
Show SMILES Cc1ccc(nc1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
Show InChI InChI=1S/C33H34F3N7O2/c1-22-4-9-28(37-21-22)24-13-19-42(20-14-24)31(45)25-5-7-26(8-6-25)38-32-39-30-27(3-2-16-43(30)40-32)23-11-17-41(18-12-23)29(44)10-15-33(34,35)36/h2-9,11,16,21,24H,10,12-15,17-20H2,1H3,(H,38,40)
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 0.210n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366678
PNG
(US9873709, Example 1-275 | [4-[[8-[4-(4- chlorophe...)
Show SMILES CN1CCC2CN(CC12)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H36ClN7O2/c1-37-16-12-23-19-39(20-28(23)37)30(42)22-4-10-26(11-5-22)34-31-35-29-27(3-2-15-40(29)36-31)38-17-13-32(21-41,14-18-38)24-6-8-25(33)9-7-24/h2-11,15,23,28,41H,12-14,16-21H2,1H3,(H,34,36)
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 0.210n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366803
PNG
(1-[4-[2-[4-[4- (dimethylamino) piperidine-1- carbo...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C29H34F3N7O2/c1-36(2)23-12-18-38(19-13-23)27(41)21-5-7-22(8-6-21)33-28-34-26-24(4-3-15-39(26)35-28)20-10-16-37(17-11-20)25(40)9-14-29(30,31)32/h3-8,10,15,23H,9,11-14,16-19H2,1-2H3,(H,33,35)
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 0.210n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366991
PNG
(4-[[8-[1-(3- cyanopropanoyl)-3,6- dihydro-2H-pyrid...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC#N)cc1 |t:28|
Show InChI InChI=1S/C29H34N8O2/c1-34-17-13-24(14-18-34)35(2)28(39)22-7-9-23(10-8-22)31-29-32-27-25(5-4-16-37(27)33-29)21-11-19-36(20-12-21)26(38)6-3-15-30/h4-5,7-11,16,24H,3,6,12-14,17-20H2,1-2H3,(H,31,33)
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 0.220n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367041
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[3-(4- pyridyl)pyrroli...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)c3ccncc3)nc12 |c:11|
Show InChI InChI=1S/C31H30F3N7O2/c32-31(33,34)13-7-27(42)39-17-10-22(11-18-39)26-2-1-16-41-28(26)37-30(38-41)36-25-5-3-23(4-6-25)29(43)40-19-12-24(20-40)21-8-14-35-15-9-21/h1-6,8-10,14-16,24H,7,11-13,17-20H2,(H,36,38)
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 0.220n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366681
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES C[C@H]1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C33H40ClN7O3/c1-23-20-39(21-24(2)44-23)19-15-35-31(43)25-5-11-28(12-6-25)36-32-37-30-29(4-3-16-41(30)38-32)40-17-13-33(22-42,14-18-40)26-7-9-27(34)10-8-26/h3-12,16,23-24,42H,13-15,17-22H2,1-2H3,(H,35,43)(H,36,38)/t23-,24+
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 0.230n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366981
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridylmethyl) ...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)CC3)nc12 |c:11|
Show InChI InChI=1S/C33H34F3N7O2/c34-33(35,36)14-9-29(44)41-19-12-25(13-20-41)28-4-2-16-43-30(28)39-32(40-43)38-27-7-5-26(6-8-27)31(45)42-17-10-23(11-18-42)21-24-3-1-15-37-22-24/h1-8,12,15-16,22-23H,9-11,13-14,17-21H2,(H,38,40)
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 0.230n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366918
PNG
(N-methyl-N-[2-(3- pyridyl)ethyl]-4-[[8- [1-(4,4,4-...)
Show SMILES CN(CCc1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
Show InChI InChI=1S/C30H30F3N7O2/c1-38(17-11-21-4-2-15-34-20-21)28(42)23-6-8-24(9-7-23)35-29-36-27-25(5-3-16-40(27)37-29)22-12-18-39(19-13-22)26(41)10-14-30(31,32)33/h2-9,12,15-16,20H,10-11,13-14,17-19H2,1H3,(H,35,37)
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 0.230n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366683
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H42ClN7O2/c36-27-11-9-26(10-12-27)35(24-44)17-22-42(23-18-35)31-6-3-19-43-32(31)39-34(40-43)38-28-13-7-25(8-14-28)33(45)37-29-15-20-41(21-16-29)30-4-1-2-5-30/h3,6-14,19,29-30,44H,1-2,4-5,15-18,20-24H2,(H,37,45)(H,38,40)
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 0.230n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367105
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(2- pyridylmethyl) ...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4ccccn4)CC3)nc12 |c:11|
Show InChI InChI=1S/C33H34F3N7O2/c34-33(35,36)15-10-29(44)41-20-13-24(14-21-41)28-5-3-17-43-30(28)39-32(40-43)38-26-8-6-25(7-9-26)31(45)42-18-11-23(12-19-42)22-27-4-1-2-16-37-27/h1-9,13,16-17,23H,10-12,14-15,18-22H2,(H,38,40)
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 0.240n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366680
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES C[C@H]1CN(CCNC(=O)c2ccc(Nc3nc4c(cccn4n3)N3CCC(CO)(CC3)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 |r|
Show InChI InChI=1S/C33H40ClN7O3/c1-23-20-39(21-24(2)44-23)19-15-35-31(43)25-5-11-28(12-6-25)36-32-37-30-29(4-3-16-41(30)38-32)40-17-13-33(22-42,14-18-40)26-7-9-27(34)10-8-26/h3-12,16,23-24,42H,13-15,17-22H2,1-2H3,(H,35,43)(H,36,38)/t23-,24-/m0/s1
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 0.240n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367095
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridylmethyl) ...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(Cc4cccnc4)CC3)nc12 |c:11|
Show InChI InChI=1S/C32H33F3N8O2/c33-32(34,35)12-9-28(44)41-15-10-24(11-16-41)27-4-2-14-43-29(27)38-31(39-43)37-26-7-5-25(6-8-26)30(45)42-19-17-40(18-20-42)22-23-3-1-13-36-21-23/h1-8,10,13-14,21H,9,11-12,15-20,22H2,(H,37,39)
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 0.240n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366682
PNG
(US9873709, Example 1-279 | [4-[[8-[4-(4- chlorophe...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(C3)c3ccncc3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H34ClN7O2/c35-28-7-5-27(6-8-28)34(23-43)14-20-40(21-15-34)30-2-1-18-42-31(30)38-33(39-42)37-29-9-3-25(4-10-29)32(44)41-19-13-26(22-41)24-11-16-36-17-12-24/h1-12,16-18,26,43H,13-15,19-23H2,(H,37,39)
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 0.25n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366713
PNG
(US9873709, Example 2-7 | cyanomethyl 4-[2-[4- [met...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)OCC#N)cc1 |t:28|
Show InChI InChI=1S/C28H32N8O3/c1-33-15-11-23(12-16-33)34(2)26(37)21-5-7-22(8-6-21)30-27-31-25-24(4-3-14-36(25)32-27)20-9-17-35(18-10-20)28(38)39-19-13-29/h3-9,14,23H,10-12,15-19H2,1-2H3,(H,30,32)
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 0.25n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366670
PNG
(4-[[8-[4-[4- (difluoromethyl)phenyl]- 4-(hydroxyme...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(cc2)C(F)F)cc1
Show InChI InChI=1S/C33H39F2N7O2/c1-39-18-13-27(14-19-39)40(2)31(44)24-7-11-26(12-8-24)36-32-37-30-28(4-3-17-42(30)38-32)41-20-15-33(22-43,16-21-41)25-9-5-23(6-10-25)29(34)35/h3-12,17,27,29,43H,13-16,18-22H2,1-2H3,(H,36,38)
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 0.25n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367169
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(6-methyl-2- pyridy...)
Show SMILES Cc1cccc(n1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
Show InChI InChI=1S/C33H34F3N7O2/c1-22-4-2-6-28(37-22)24-14-20-42(21-15-24)31(45)25-7-9-26(10-8-25)38-32-39-30-27(5-3-17-43(30)40-32)23-12-18-41(19-13-23)29(44)11-16-33(34,35)36/h2-10,12,17,24H,11,13-16,18-21H2,1H3,(H,38,40)
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 0.260n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366692
PNG
(2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3cnn(CC(=O)N4CCC(CN5CCOCC5)CC4)c3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H42ClN9O3/c34-27-5-3-26(4-6-27)33(24-44)9-14-40(15-10-33)29-2-1-11-43-31(29)37-32(38-43)36-28-20-35-42(22-28)23-30(45)41-12-7-25(8-13-41)21-39-16-18-46-19-17-39/h1-6,11,20,22,25,44H,7-10,12-19,21,23-24H2,(H,36,38)
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 0.260n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366984
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[2-(3- pyridyl)piperid...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3c3cccnc3)nc12 |c:11|
Show InChI InChI=1S/C32H32F3N7O2/c33-32(34,35)15-12-28(43)40-19-13-22(14-20-40)26-6-4-18-42-29(26)38-31(39-42)37-25-10-8-23(9-11-25)30(44)41-17-2-1-7-27(41)24-5-3-16-36-21-24/h3-6,8-11,13,16,18,21,27H,1-2,7,12,14-15,17,19-20H2,(H,37,39)
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 0.260n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366969
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[2-(2- pyridylmethyl) ...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCCC3Cc3ccccn3)nc12 |c:11|
Show InChI InChI=1S/C33H34F3N7O2/c34-33(35,36)16-13-29(44)41-20-14-23(15-21-41)28-8-5-19-43-30(28)39-32(40-43)38-25-11-9-24(10-12-25)31(45)42-18-4-2-7-27(42)22-26-6-1-3-17-37-26/h1,3,5-6,8-12,14,17,19,27H,2,4,7,13,15-16,18,20-22H2,(H,38,40)
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 0.260n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366689
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H38ClN7O3/c33-26-8-6-25(7-9-26)32(23-41)12-17-39(18-13-32)28-3-1-16-40-29(28)36-31(37-40)35-27-10-4-24(5-11-27)30(42)34-14-2-15-38-19-21-43-22-20-38/h1,3-11,16,41H,2,12-15,17-23H2,(H,34,42)(H,35,37)
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 0.260n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367106
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[3-(3- pyridylmethyl) ...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)C3)nc12 |c:11|
Show InChI InChI=1S/C32H32F3N7O2/c33-32(34,35)13-9-28(43)40-17-11-24(12-18-40)27-4-2-15-42-29(27)38-31(39-42)37-26-7-5-25(6-8-26)30(44)41-16-10-23(21-41)19-22-3-1-14-36-20-22/h1-8,11,14-15,20,23H,9-10,12-13,16-19,21H2,(H,37,39)
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 0.270n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366863
PNG
(1-[4-[2-[4-[4-(2,6- dimethylmorpholin-4- yl)piperi...)
Show SMILES CC1CN(CC(C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:34|
Show InChI InChI=1S/C33H40F3N7O3/c1-22-20-42(21-23(2)46-22)27-12-18-41(19-13-27)31(45)25-5-7-26(8-6-25)37-32-38-30-28(4-3-15-43(30)39-32)24-10-16-40(17-11-24)29(44)9-14-33(34,35)36/h3-8,10,15,22-23,27H,9,11-14,16-21H2,1-2H3,(H,37,39)
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 0.270n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366689
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H38ClN7O3/c33-26-8-6-25(7-9-26)32(23-41)12-17-39(18-13-32)28-3-1-16-40-29(28)36-31(37-40)35-27-10-4-24(5-11-27)30(42)34-14-2-15-38-19-21-43-22-20-38/h1,3-11,16,41H,2,12-15,17-23H2,(H,34,42)(H,35,37)
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 0.270n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366437
PNG
(4-[[8-[4-(2-amino-2- oxo-ethyl)-4-phenyl-1- piperi...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CC(N)=O)(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C33H40N8O2/c1-38-19-14-27(15-20-38)39(2)31(43)24-10-12-26(13-11-24)35-32-36-30-28(9-6-18-41(30)37-32)40-21-16-33(17-22-40,23-29(34)42)25-7-4-3-5-8-25/h3-13,18,27H,14-17,19-23H2,1-2H3,(H2,34,42)(H,35,37)
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 0.270n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366925
PNG
(N-ethyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tri...)
Show SMILES CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
Show InChI InChI=1S/C30H30F3N7O2/c1-2-38(20-21-10-15-34-16-11-21)28(42)23-5-7-24(8-6-23)35-29-36-27-25(4-3-17-40(27)37-29)22-12-18-39(19-13-22)26(41)9-14-30(31,32)33/h3-8,10-12,15-17H,2,9,13-14,18-20H2,1H3,(H,35,37)
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 0.280n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367108
PNG
(N-methyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tr...)
Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C29H28F3N7O2/c1-37(19-20-9-14-33-15-10-20)27(41)22-4-6-23(7-5-22)34-28-35-26-24(3-2-16-39(26)36-28)21-11-17-38(18-12-21)25(40)8-13-29(30,31)32/h2-7,9-11,14-16H,8,12-13,17-19H2,1H3,(H,34,36)
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 0.280n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367103
PNG
(N-methyl-N-(3- pyridylmethyl)-4-[[8- [1-(4,4,4- tr...)
Show SMILES CN(Cc1cccnc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C29H28F3N7O2/c1-37(19-20-4-2-14-33-18-20)27(41)22-6-8-23(9-7-22)34-28-35-26-24(5-3-15-39(26)36-28)21-11-16-38(17-12-21)25(40)10-13-29(30,31)32/h2-9,11,14-15,18H,10,12-13,16-17,19H2,1H3,(H,34,36)
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 0.290n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367163
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(2-imidazol-1- ylet...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCn4ccnc4)CC3)nc12 |c:11|
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)10-7-27(44)41-13-8-23(9-14-41)26-2-1-12-43-28(26)37-30(38-43)36-25-5-3-24(4-6-25)29(45)42-20-18-39(19-21-42)16-17-40-15-11-35-22-40/h1-6,8,11-12,15,22H,7,9-10,13-14,16-21H2,(H,36,38)
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 0.290n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366869
PNG
(N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-[1-(3,3,...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C28H32F3N7O2/c1-35-14-11-22(12-15-35)36(2)26(40)20-5-7-21(8-6-20)32-27-33-25-23(4-3-13-38(25)34-27)19-9-16-37(17-10-19)24(39)18-28(29,30)31/h3-9,13,22H,10-12,14-18H2,1-2H3,(H,32,34)
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 0.290n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366916
PNG
(4,4,4-trifluoro-1-[4-[2- [4-(4- morpholinopiperidi...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(CC3)N3CCOCC3)nc12 |c:11|
Show InChI InChI=1S/C31H36F3N7O3/c32-31(33,34)12-7-27(42)39-14-8-22(9-15-39)26-2-1-13-41-28(26)36-30(37-41)35-24-5-3-23(4-6-24)29(43)40-16-10-25(11-17-40)38-18-20-44-21-19-38/h1-6,8,13,25H,7,9-12,14-21H2,(H,35,37)
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 0.290n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367175
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(2- morpholinoethyl...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CCN4CCOCC4)CC3)nc12 |c:11|
Show InChI InChI=1S/C32H39F3N8O3/c33-32(34,35)10-7-28(44)41-12-8-24(9-13-41)27-2-1-11-43-29(27)37-31(38-43)36-26-5-3-25(4-6-26)30(45)42-18-16-39(17-19-42)14-15-40-20-22-46-23-21-40/h1-6,8,11H,7,9-10,12-23H2,(H,36,38)
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 0.290n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367162
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(3-methyl-1- piperi...)
Show SMILES CC1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:33|
Show InChI InChI=1S/C33H40F3N7O2/c1-23-4-2-16-42(22-23)27-13-20-41(21-14-27)31(45)25-6-8-26(9-7-25)37-32-38-30-28(5-3-17-43(30)39-32)24-11-18-40(19-12-24)29(44)10-15-33(34,35)36/h3,5-9,11,17,23,27H,2,4,10,12-16,18-22H2,1H3,(H,37,39)
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 0.300n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM366683
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H42ClN7O2/c36-27-11-9-26(10-12-27)35(24-44)17-22-42(23-18-35)31-6-3-19-43-32(31)39-34(40-43)38-28-13-7-25(8-14-28)33(45)37-29-15-20-41(21-16-29)30-4-1-2-5-30/h3,6-14,19,29-30,44H,1-2,4-5,15-18,20-24H2,(H,37,45)(H,38,40)
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 0.300n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366859
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(2- hydroxyethyl) p...)
Show SMILES OCCN1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C28H32F3N7O3/c29-28(30,31)10-7-24(40)36-12-8-20(9-13-36)23-2-1-11-38-25(23)33-27(34-38)32-22-5-3-21(4-6-22)26(41)37-16-14-35(15-17-37)18-19-39/h1-6,8,11,39H,7,9-10,12-19H2,(H,32,34)
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 0.300n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM366693
PNG
(US9873709, Example 1-290 | formic acid; methyl 3- ...)
Show SMILES COC(=O)CCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C31H38ClN9O4/c1-45-28(44)8-12-37-15-17-39(18-16-37)27(43)21-40-20-25(19-33-40)34-30-35-29-26(3-2-11-41(29)36-30)38-13-9-31(22-42,10-14-38)23-4-6-24(32)7-5-23/h2-7,11,19-20,42H,8-10,12-18,21-22H2,1H3,(H,34,36)
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 0.300n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM367043
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(tetrahydrofuran- 2...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12 |c:11|
Show InChI InChI=1S/C31H36F3N7O3/c32-31(33,34)12-9-27(42)39-14-10-22(11-15-39)26-4-1-13-41-28(26)36-30(37-41)35-24-7-5-23(6-8-24)29(43)40-18-16-38(17-19-40)21-25-3-2-20-44-25/h1,4-8,10,13,25H,2-3,9,11-12,14-21H2,(H,35,37)
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US Patent
 0.310n/an/an/an/an/an/an/an/a



Duquesne University



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...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
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