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Patent code US9732097

Compile Data Set for Download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246871
PNG
(US10053465, 10 | US10065963, Compound 10 | US10125...)
Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCN(CC1)[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)23-31-6-2-19(35-23)22(39)37-9-7-36(8-10-37)17-11-24(12-17,3-4-29)38-14-16(13-34-38)20-18-1-5-30-21(18)33-15-32-20/h1-2,5-6,13-15,17H,3,7-12H2,(H,30,32,33)/t17-,24-
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246888
PNG
(US10053465, 26 | US10065963, Compound 26 | US10125...)
Show SMILES OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N8O2/c29-28(30,31)23-11-18(4-10-40)12-24(37-23)41-21-2-8-38(9-3-21)20-13-27(14-20,5-6-32)39-16-19(15-36-39)25-22-1-7-33-26(22)35-17-34-25/h1,7,11-12,15-17,20-21,40H,2-5,8-10,13-14H2,(H,33,34,35)/t20-,27-
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246880
PNG
(US10053465, 19 | US10065963, Compound 19 | US10125...)
Show SMILES CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C29H32F3N9O/c1-2-34-13-19-11-24(29(30,31)32)39-25(12-19)42-22-5-3-21(4-6-22)40-16-28(17-40,8-9-33)41-15-20(14-38-41)26-23-7-10-35-27(23)37-18-36-26/h7,10-12,14-15,18,21-22,34H,2-6,8,13,16-17H2,1H3,(H,35,36,37)/t21-,22+
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246853
PNG
(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Show InChI InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246873
PNG
(US10053465, 12 | US10065963, Compound 12 | US10125...)
Show SMILES OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24-,31-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246864
PNG
(3-(1- [1,3]oxazolo[5,4- b]pyridin-2- ylpyrrolidin-...)
Show SMILES N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H19N9O/c23-6-3-18(14-5-9-30(11-14)22-29-17-2-1-7-25-21(17)32-22)31-12-15(10-28-31)19-16-4-8-24-20(16)27-13-26-19/h1-2,4,7-8,10,12-14,18H,3,5,9,11H2,(H,24,26,27)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246874
PNG
(US10053465, 13 | US10065963, Compound 13 | US10125...)
Show SMILES OC[C@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24-,31-/m1/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM262166
PNG
(5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246884
PNG
(US10053465, 23 | US10065963, Compound 23 | US10125...)
Show SMILES C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(17-43)36-14-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-16-21(15-39-42)27-24-2-7-35-28(24)38-18-37-27/h2,7,10-11,15-16,18-19,22-23,36,43H,3-5,8-9,12-14,17H2,1H3,(H,35,37,38)/t19-,22-,29-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246885
PNG
(US10053465, 24 | US10065963, Compound 25 | US10125...)
Show SMILES C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m1/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246852
PNG
(((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246872
PNG
(US10053465, 11 | US10065963, Compound 11 | US10125...)
Show SMILES OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)25-9-19(14-40-16-22(43)17-40)10-26(39-25)44-23-2-7-41(8-3-23)21-11-29(12-21,4-5-34)42-15-20(13-38-42)27-24-1-6-35-28(24)37-18-36-27/h1,6,9-10,13,15,18,21-23,43H,2-4,7-8,11-12,14,16-17H2,(H,35,36,37)/t21-,29-
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246877
PNG
(4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C24H19F5N8O/c1-13(24(27,28)29)35-22(38)16-6-18(26)19(7-17(16)25)36-10-23(11-36,3-4-30)37-9-14(8-34-37)20-15-2-5-31-21(15)33-12-32-20/h2,5-9,12-13H,3,10-11H2,1H3,(H,35,38)(H,31,32,33)/t13-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM335511
PNG
(US9732097, Example 20 | {1-(cis-4-{[4-(1- hydroxy-...)
Show SMILES CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2C[N](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N9O2/c1-27(2,41)19-11-23(28(29,30)31)37-24(12-19)42-21-5-3-20(4-6-21)38-16-40(17-38,10-8-32)39-14-18(13-36-39)25-22-7-9-33-26(22)35-15-34-25/h7,9,11-15,20-21,41H,3-6,10,16-17H2,1-2H3,(H,33,34,35)/t20-,21+
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246882
PNG
(US10053465, 21 | US10065963, Compound 21 | US10125...)
Show SMILES O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m1/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM285696
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C25H22FN9O/c26-22-11-17(12-28)1-2-20(22)25(36)34-9-7-33(8-10-34)15-19(3-5-27)35-14-18(13-32-35)23-21-4-6-29-24(21)31-16-30-23/h1-2,4,6,11,13-14,16,19H,3,7-10,15H2,(H,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246870
PNG
(US10053465, 9 | US10065963, Compound 9 | US1012515...)
Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)23-31-8-2-19(35-23)22(39)36-9-3-17(4-10-36)37-13-24(14-37,5-6-29)38-12-16(11-34-38)20-18-1-7-30-21(18)33-15-32-20/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,30,32,33)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246879
PNG
(US10053465, 18 | US10065963, Compound 18 | US10125...)
Show SMILES OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N9O2/c28-27(29,30)25-36-18(6-10-40)11-22(37-25)41-20-3-1-19(2-4-20)38-14-26(15-38,7-8-31)39-13-17(12-35-39)23-21-5-9-32-24(21)34-16-33-23/h5,9,11-13,16,19-20,40H,1-4,6-7,10,14-15H2,(H,32,33,34)/t19-,20+
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246867
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C26H23FN8O/c27-23-13-18(14-29)1-2-21(23)26(36)34-11-9-33(10-12-34)16-20(3-6-28)35-8-5-19(15-35)24-22-4-7-30-25(22)32-17-31-24/h1-2,4-5,7-8,13,15,17,20H,3,9-12,16H2,(H,30,31,32)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246868
PNG
(US10053465, 7 | US10065963, Compound 7 | US1012515...)
Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246869
PNG
(4-{3-(Cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F4N9O/c28-18-1-2-22(21(11-18)27(29,30)31)37-25(41)38-9-4-19(5-10-38)39-14-26(15-39,6-7-32)40-13-17(12-36-40)23-20-3-8-33-24(20)35-16-34-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,37,41)(H,33,34,35)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246876
PNG
(5-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H22N10O/c1-14(2)30-21(33)17-8-26-18(9-25-17)31-11-22(12-31,4-5-23)32-10-15(7-29-32)19-16-3-6-24-20(16)28-13-27-19/h3,6-10,13-14H,4,11-12H2,1-2H3,(H,30,33)(H,24,27,28)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246875
PNG
(4-(4-{3- [(dimethylamino) methyl]-5- fluorophenoxy...)
Show SMILES CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3ncnc4[nH]ccc34)CC2)c1
Show InChI InChI=1S/C27H31FN8O/c1-34(2)15-19-11-21(28)13-24(12-19)37-23-5-9-35(10-6-23)17-22(3-7-29)36-16-20(14-33-36)26-25-4-8-30-27(25)32-18-31-26/h4,8,11-14,16,18,22-23H,3,5-6,9-10,15,17H2,1-2H3,(H,30,31,32)
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Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%