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Compile Data Set for Download or QSAR

Found 5093 hits of ic50 data for polymerid = 4918   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113220
PNG
(US8633206, 139)
Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19?
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US Patent
n/an/a 0.00405n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113219
PNG
(US8633206, 138)
Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?
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US Patent
n/an/a 0.00767n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112541
PNG
(US8618103, I-37)
Show SMILES CS(=O)(=O)N1CCCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)24-10-3-4-13(7-11-24)22-17-14(5-2-8-19-17)16-12-21-18-15(23-16)6-9-20-18/h2,5-6,8-9,12-13H,3-4,7,10-11H2,1H3,(H,19,22)(H,20,21)
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US Patent
n/an/a 0.00890n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112517
PNG
(US8618103, I-13)
Show SMILES COC(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H22N6O2/c1-27-19(26)25-10-3-2-5-13(12-25)23-17-14(6-4-8-20-17)16-11-22-18-15(24-16)7-9-21-18/h4,6-9,11,13H,2-3,5,10,12H2,1H3,(H,20,23)(H,21,22)
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US Patent
n/an/a 0.0106n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112515
PNG
(US8618103, I-11)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H18N6O2S/c1-25(23,24)22-8-5-11(10-22)20-15-12(3-2-6-17-15)14-9-19-16-13(21-14)4-7-18-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1
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US Patent
n/an/a 0.0108n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113216
PNG
(US8633206, 135)
Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1
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US Patent
n/an/a 0.0165n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112601
PNG
(US8618103, I-97)
Show SMILES CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C26H39N9O2S/c1-26(2,3)8-15-38(36,37)35-10-5-6-19(18-35)30-23-20(22-17-28-24-21(31-22)7-9-27-24)16-29-25(32-23)34-13-11-33(4)12-14-34/h7,9,16-17,19H,5-6,8,10-15,18H2,1-4H3,(H,27,28)(H,29,30,32)/t19-/m0/s1
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US Patent
n/an/a 0.0172n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112516
PNG
(US8618103, I-12)
Show SMILES CC(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H22N6O/c1-13(26)25-10-3-2-5-14(12-25)23-18-15(6-4-8-20-18)17-11-22-19-16(24-17)7-9-21-19/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H,20,23)(H,21,22)
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US Patent
n/an/a 0.0191n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112574
PNG
(US8618103, I-70)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H26N8O2S/c1-12(2)11-30(28,29)27-7-3-4-13(10-27)24-17-14(8-23-19(20)26-17)16-9-22-18-15(25-16)5-6-21-18/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,22)(H3,20,23,24,26)/t13-/m0/s1
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US Patent
n/an/a 0.0196n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113214
PNG
(US8633206, 133)
Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H33N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(H,21,22,23)/t14-,15+,16+,18+/m1/s1
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US Patent
n/an/a 0.0199n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112569
PNG
(US8618103, I-65)
Show SMILES CS(=O)(=O)N1CC[C@@H](O)[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H20N6O3S/c1-27(25,26)23-8-5-15(24)14(10-23)22-16-11(3-2-6-18-16)13-9-20-17-12(21-13)4-7-19-17/h2-4,6-7,9,14-15,24H,5,8,10H2,1H3,(H,18,22)(H,19,20)/t14-,15-/m1/s1
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US Patent
n/an/a 0.0201n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112518
PNG
(US8618103, I-14)
Show SMILES CS(=O)(=O)N1CCCCC(C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)24-10-3-2-5-13(12-24)22-17-14(6-4-8-19-17)16-11-21-18-15(23-16)7-9-20-18/h4,6-9,11,13H,2-3,5,10,12H2,1H3,(H,19,22)(H,20,21)
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US Patent
n/an/a 0.0209n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112597
PNG
(US8618103, I-93)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(N)=O)CC1
Show InChI InChI=1S/C23H31N9O3S/c1-36(34,35)32-8-2-3-16(14-32)28-21-17(19-13-26-22-18(29-19)4-7-25-22)12-27-23(30-21)31-9-5-15(6-10-31)11-20(24)33/h4,7,12-13,15-16H,2-3,5-6,8-11,14H2,1H3,(H2,24,33)(H,25,26)(H,27,28,30)/t16-/m0/s1
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US Patent
n/an/a 0.0221n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112510
PNG
(US8618103, I-6)
Show SMILES CC(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H20N6O/c1-12(25)24-9-3-4-13(11-24)22-17-14(5-2-7-19-17)16-10-21-18-15(23-16)6-8-20-18/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,19,22)(H,20,21)/t13-/m1/s1
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US Patent
n/an/a 0.0228n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112536
PNG
(US8618103, I-32)
Show SMILES CC(C)(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H28N6O2S/c1-21(2,3)14-30(28,29)27-11-5-6-15(13-27)25-19-16(7-4-9-22-19)18-12-24-20-17(26-18)8-10-23-20/h4,7-10,12,15H,5-6,11,13-14H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
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US Patent
n/an/a 0.0245n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112514
PNG
(US8618103, I-10)
Show SMILES COC(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H18N6O2/c1-25-17(24)23-8-5-11(10-23)21-15-12(3-2-6-18-15)14-9-20-16-13(22-14)4-7-19-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
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US Patent
n/an/a 0.0276n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112506
PNG
(US8618103, I-2)
Show SMILES CS(=O)(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H20N6O2S/c1-26(24,25)23-9-3-4-12(11-23)21-16-13(5-2-7-18-16)15-10-20-17-14(22-15)6-8-19-17/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1
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US Patent
n/an/a 0.0292n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112583
PNG
(US8618103, I-79)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N7O2S2/c1-22(2,3)8-11-33(30,31)29-10-5-6-15(14-29)26-19-16(12-25-21(28-19)32-4)18-13-24-20-17(27-18)7-9-23-20/h7,9,12-13,15H,5-6,8,10-11,14H2,1-4H3,(H,23,24)(H,25,26,28)/t15-/m0/s1
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US Patent
n/an/a 0.0293n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112509
PNG
(US8618103, I-5)
Show SMILES CS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H18N6O2S/c1-25(23,24)22-8-5-11(10-22)20-15-12(3-2-6-17-15)14-9-19-16-13(21-14)4-7-18-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1
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US Patent
n/an/a 0.0296n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112622
PNG
(US8618103, I-118)
Show SMILES C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H21N7O2S/c1-13-9-14(12-26(11-13)29(27,28)8-5-20)24-18-15(3-2-6-21-18)17-10-23-19-16(25-17)4-7-22-19/h2-4,6-7,10,13-14H,8-9,11-12H2,1H3,(H,21,24)(H,22,23)/t13-,14-/m0/s1
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n/an/a 0.0332n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112537
PNG
(US8618103, I-33)
Show SMILES FC(F)(F)CN1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H19F3N6/c19-18(20,21)11-27-8-2-3-12(10-27)25-16-13(4-1-6-22-16)15-9-24-17-14(26-15)5-7-23-17/h1,4-7,9,12H,2-3,8,10-11H2,(H,22,25)(H,23,24)/t12-/m0/s1
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US Patent
n/an/a 0.0350n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112545
PNG
(US8618103, I-41)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nccnc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H19N7O2S/c1-26(24,25)23-8-2-3-11(10-23)21-16-14(17-6-7-19-16)13-9-20-15-12(22-13)4-5-18-15/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
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n/an/a 0.0359n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113218
PNG
(US8633206, 137)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19?
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n/an/a 0.0366n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112565
PNG
(US8618103, I-61)
Show SMILES Cc1c[nH]c2ncc(nc12)-c1cccnc1N[C@H]1CCCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C18H22N6O2S/c1-12-9-20-18-16(12)23-15(10-21-18)14-6-3-7-19-17(14)22-13-5-4-8-24(11-13)27(2,25)26/h3,6-7,9-10,13H,4-5,8,11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
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n/an/a 0.0367n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112566
PNG
(US8618103, I-62)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C3CC3)c2n1
Show InChI InChI=1S/C20H24N6O2S/c1-29(27,28)26-9-3-4-14(12-26)24-19-15(5-2-8-21-19)17-11-23-20-18(25-17)16(10-22-20)13-6-7-13/h2,5,8,10-11,13-14H,3-4,6-7,9,12H2,1H3,(H,21,24)(H,22,23)/t14-/m0/s1
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n/an/a 0.0384n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112513
PNG
(US8618103, I-9)
Show SMILES CC(=O)N1CC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H18N6O/c1-11(24)23-8-5-12(10-23)21-16-13(3-2-6-18-16)15-9-20-17-14(22-15)4-7-19-17/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 0.0397n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112567
PNG
(US8618103, I-63)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(Cl)c2n1
Show InChI InChI=1S/C17H19ClN6O2S/c1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
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US Patent
n/an/a 0.0398n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112542
PNG
(US8618103, I-38)
Show SMILES O=S(=O)(CC1CC1)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H24N6O2S/c27-29(28,13-14-5-6-14)26-10-2-3-15(12-26)24-19-16(4-1-8-21-19)18-11-23-20-17(25-18)7-9-22-20/h1,4,7-9,11,14-15H,2-3,5-6,10,12-13H2,(H,21,24)(H,22,23)/t15-/m0/s1
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n/an/a 0.0413n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112598
PNG
(US8618103, I-94)
Show SMILES CC[C@@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14-/m0/s1
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n/an/a 0.0432n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112535
PNG
(US8618103, I-31)
Show SMILES Cc1ccc(c(NC2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H22N6O2S/c1-12-5-6-14(16-10-20-18-15(23-16)7-8-19-18)17(21-12)22-13-4-3-9-24(11-13)27(2,25)26/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20)(H,21,22)
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n/an/a 0.0464n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112511
PNG
(US8618103, I-7)
Show SMILES COC(=O)N1CCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H20N6O2/c1-26-18(25)24-9-5-12(6-10-24)22-16-13(3-2-7-19-16)15-11-21-17-14(23-15)4-8-20-17/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,22)(H,20,21)
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US Patent
n/an/a 0.0470n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112606
PNG
(US8618103, I-102)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC(C1)C#N
Show InChI InChI=1S/C20H23N9O2S/c1-32(30,31)29-6-2-3-14(12-29)25-18-15(17-9-23-19-16(26-17)4-5-22-19)8-24-20(27-18)28-10-13(7-21)11-28/h4-5,8-9,13-14H,2-3,6,10-12H2,1H3,(H,22,23)(H,24,25,27)/t14-/m0/s1
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n/an/a 0.0485n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112578
PNG
(US8618103, I-74)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O3S/c1-16(2)15-35(32,33)31-7-3-4-17(14-31)27-21-18(20-13-25-22-19(28-20)5-6-24-22)12-26-23(29-21)30-8-10-34-11-9-30/h5-6,12-13,16-17H,3-4,7-11,14-15H2,1-2H3,(H,24,25)(H,26,27,29)/t17-/m0/s1
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n/an/a 0.0490n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112599
PNG
(US8618103, I-95)
Show SMILES CC[C@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14+/m1/s1
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n/an/a 0.0540n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112575
PNG
(US8618103, I-71)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N(C)C
Show InChI InChI=1S/C21H30N8O2S/c1-14(2)13-32(30,31)29-9-5-6-15(12-29)25-19-16(10-24-21(27-19)28(3)4)18-11-23-20-17(26-18)7-8-22-20/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3,(H,22,23)(H,24,25,27)/t15-/m0/s1
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n/an/a 0.0549n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112573
PNG
(US8618103, I-69)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H25N7O2S/c1-13(2)11-29(27,28)26-7-3-4-14(10-26)24-18-15(8-20-12-23-18)17-9-22-19-16(25-17)5-6-21-19/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,21,22)(H,20,23,24)/t14-/m0/s1
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n/an/a 0.0581n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112614
PNG
(US8618103, I-110)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H35N9O2S/c1-17(2)16-36(34,35)33-8-4-5-18(15-33)28-22-19(21-14-26-23-20(29-21)6-7-25-23)13-27-24(30-22)32-11-9-31(3)10-12-32/h6-7,13-14,17-18H,4-5,8-12,15-16H2,1-3H3,(H,25,26)(H,27,28,30)/t18-/m0/s1
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n/an/a 0.0585n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112586
PNG
(US8618103, I-82)
Show SMILES CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H29N9O2S/c1-28-8-10-29(11-9-28)21-24-12-16(18-13-23-20-17(26-18)5-6-22-20)19(27-21)25-15-4-3-7-30(14-15)33(2,31)32/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3,(H,22,23)(H,24,25,27)/t15-/m0/s1
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n/an/a 0.0603n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112576
PNG
(US8618103, I-72)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)S(C)(=O)=O
Show InChI InChI=1S/C20H27N7O4S2/c1-13(2)12-33(30,31)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)32(3,28)29)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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US Patent
n/an/a 0.0646n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112589
PNG
(US8618103, I-85)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCO)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H24N8O3S/c1-30(28,29)26-7-2-3-12(11-26)23-16-13(9-22-18(25-16)20-6-8-27)15-10-21-17-14(24-15)4-5-19-17/h4-5,9-10,12,27H,2-3,6-8,11H2,1H3,(H,19,21)(H2,20,22,23,25)/t12-/m0/s1
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US Patent
n/an/a 0.0668n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112529
PNG
(US8618103, I-25)
Show SMILES CCCS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H26N6O2S/c1-3-9-29(27,28)26-12-14(2)10-15(13-26)24-19-16(5-4-7-21-19)18-11-23-20-17(25-18)6-8-22-20/h4-8,11,14-15H,3,9-10,12-13H2,1-2H3,(H,21,24)(H,22,23)/t14-,15-/m0/s1
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US Patent
n/an/a 0.0676n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112530
PNG
(US8618103, I-26)
Show SMILES CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H28N6O2S/c1-14(2)13-30(28,29)27-11-15(3)9-16(12-27)25-20-17(5-4-7-22-20)19-10-24-21-18(26-19)6-8-23-21/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
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US Patent
n/an/a 0.0700n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112613
PNG
(US8618103, I-109)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N9O2S/c1-29(2)16-7-10-30(14-16)22-25-11-17(19-12-24-21-18(27-19)6-8-23-21)20(28-22)26-15-5-4-9-31(13-15)34(3,32)33/h6,8,11-12,15-16H,4-5,7,9-10,13-14H2,1-3H3,(H,23,24)(H,25,26,28)/t15-,16+/m0/s1
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US Patent
n/an/a 0.0708n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112581
PNG
(US8618103, I-77)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H20N8O2S/c1-27(25,26)24-6-2-3-10(9-24)21-14-11(7-20-16(17)23-14)13-8-19-15-12(22-13)4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)(H3,17,20,21,23)/t10-/m0/s1
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US Patent
n/an/a 0.0713n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112584
PNG
(US8618103, I-80)
Show SMILES COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H21N7O3S/c1-27-17-20-8-12(14-9-19-16-13(22-14)5-6-18-16)15(23-17)21-11-4-3-7-24(10-11)28(2,25)26/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21,23)/t11-/m0/s1
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US Patent
n/an/a 0.0717n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112590
PNG
(US8618103, I-86)
Show SMILES COCCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H26N8O3S/c1-30-9-7-21-19-23-10-14(16-11-22-18-15(25-16)5-6-20-18)17(26-19)24-13-4-3-8-27(12-13)31(2,28)29/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,22)(H2,21,23,24,26)/t13-/m0/s1
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US Patent
n/an/a 0.0763n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112577
PNG
(US8618103, I-73)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CC(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H27N7O2S2/c1-13(2)12-31(28,29)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)30-3)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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US Patent
n/an/a 0.0764n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112512
PNG
(US8618103, I-8)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H20N6O/c1-12(25)24-9-5-13(6-10-24)22-17-14(3-2-7-19-17)16-11-21-18-15(23-16)4-8-20-18/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,22)(H,20,21)
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US Patent
n/an/a 0.0765n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112616
PNG
(US8618103, I-112)
Show SMILES C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N10O2S/c1-16-11-17(15-33(14-16)36(34,35)10-4-24)28-21-18(20-13-26-22-19(29-20)3-5-25-22)12-27-23(30-21)32-8-6-31(2)7-9-32/h3,5,12-13,16-17H,6-11,14-15H2,1-2H3,(H,25,26)(H,27,28,30)/t16-,17-/m0/s1
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US Patent
n/an/a 0.0782n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112560
PNG
(US8618103, I-56)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nccnc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H25N7O2S/c1-13(2)12-29(27,28)26-9-3-4-14(11-26)24-19-17(20-7-8-22-19)16-10-23-18-15(25-16)5-6-21-18/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1
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n/an/a 0.0797n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)

More data for this
Ligand-Target Pair
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