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35 similar compounds to monomer 147692

Compile data set for download or QSAR
Wt: 462.4
BDBM147874
Wt: 460.4
BDBM147873
Wt: 462.4
BDBM147875
Wt: 460.4
BDBM147878
Wt: 460.4
BDBM147879
Wt: 448.4
BDBM147880
Wt: 446.4
BDBM147802
Wt: 460.4
BDBM147699
Wt: 446.4
BDBM147700
Wt: 432.4
BDBM147812
Wt: 472.5
BDBM147707
Wt: 460.4
BDBM147710
Wt: 460.4
BDBM147711
Wt: 432.4
BDBM147817
Wt: 432.4
BDBM147819
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 147874,147873,147875,147878,147879,147880,147802,147699,147700,147812,147707,147710,147711,147817,147819   
Target/Host
(Institution)
LigandTarget/Host
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 JAK1


(Homo sapiens (Human))
BDBM147699
PNG
(US8962608, 28-9)
Show SMILES C[C@@H]1C[C@@H](C)N1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15-,18+,20+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147880
PNG
(US8962608, 28-204)
Show SMILES CC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H27F3N6O/c1-21(2,3)29-16-8-9-18(13(10-16)11-26)31-12-17(19(27)32)20(30-31)28-15-6-4-14(5-7-15)22(23,24)25/h4-7,12-13,16,18,29H,8-10H2,1-3H3,(H2,27,32)(H,28,30)/t13-,16+,18?/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147707
PNG
(US8962608, 28-17)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1
Show InChI InChI=1S/C24H27F3N6O/c25-24(26,27)16-2-4-17(5-3-16)30-22-19(21(29)34)12-33(31-22)20-7-6-18(10-15(20)11-28)32-13-23(14-32)8-1-9-23/h2-5,12,15,18,20H,1,6-10,13-14H2,(H2,29,34)(H,30,31)/t15-,18+,20+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147710
PNG
(US8962608, 28-20)
Show SMILES C[C@H]1C[C@H](C)N1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15+,18+,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147711
PNG
(US8962608, 28-21)
Show SMILES C[C@H]1C[C@H](C)N1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15+,18-,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147802
PNG
(US8962608, 28-121)
Show SMILES CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-13)17-6-7-19(14(8-17)9-26)31-12-18(20(27)32)21(29-31)28-16-4-2-15(3-5-16)22(23,24)25/h2-5,12-14,17,19H,6-8,10-11H2,1H3,(H2,27,32)(H,28,29)/t14-,17+,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147812
PNG
(US8962608, 28-131)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16-,18+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147817
PNG
(US8962608, 28-137)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NC1CC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)13-1-3-15(4-2-13)28-20-17(19(26)31)11-30(29-20)18-8-7-16(9-12(18)10-25)27-14-5-6-14/h1-4,11-12,14,16,18,27H,5-9H2,(H2,26,31)(H,28,29)/t12-,16+,18+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147819
PNG
(US8962608, 28-139)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NC1CC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)13-1-3-15(4-2-13)28-20-17(19(26)31)11-30(29-20)18-8-7-16(9-12(18)10-25)27-14-5-6-14/h1-4,11-12,14,16,18,27H,5-9H2,(H2,26,31)(H,28,29)/t12-,16-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147873
PNG
(US8962608, 28-197)
Show SMILES CC1(C)CCN1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)9-10-31(22)17-7-8-19(14(11-17)12-27)32-13-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,13-14,17,19H,7-11H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17-,19+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147874
PNG
(US8962608, 28-198)
Show SMILES CC1(O)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O2/c1-21(33)11-30(12-21)16-6-7-18(13(8-16)9-26)31-10-17(19(27)32)20(29-31)28-15-4-2-14(3-5-15)22(23,24)25/h2-5,10,13,16,18,33H,6-8,11-12H2,1H3,(H2,27,32)(H,28,29)/t13-,16+,18+/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147875
PNG
(US8962608, 28-199)
Show SMILES CC1(O)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O2/c1-21(33)11-30(12-21)16-6-7-18(13(8-16)9-26)31-10-17(19(27)32)20(29-31)28-15-4-2-14(3-5-15)22(23,24)25/h2-5,10,13,16,18,33H,6-8,11-12H2,1H3,(H2,27,32)(H,28,29)/t13-,16-,18+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147878
PNG
(US8962608, 28-202)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)12-31(13-22)17-7-8-19(14(9-17)10-27)32-11-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,11,14,17,19H,7-9,12-13H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17+,19+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147879
PNG
(US8962608, 28-203)
Show SMILES CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)12-31(13-22)17-7-8-19(14(9-17)10-27)32-11-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,11,14,17,19H,7-9,12-13H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17-,19+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147880
PNG
(US8962608, 28-204)
Show SMILES CC(C)(C)N[C@H]1CCC([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H27F3N6O/c1-21(2,3)29-16-8-9-18(13(10-16)11-26)31-12-17(19(27)32)20(30-31)28-15-6-4-14(5-7-15)22(23,24)25/h4-7,12-13,16,18,29H,8-10H2,1-3H3,(H2,27,32)(H,28,30)/t13-,16+,18?/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147699
PNG
(US8962608, 28-9)
Show SMILES C[C@@H]1C[C@@H](C)N1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15-,18+,20+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147700
PNG
(US8962608, 28-10)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC1CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)15-3-5-16(6-4-15)29-21-18(20(27)32)12-31(30-21)19-8-7-17(9-14(19)10-26)28-11-13-1-2-13/h3-6,12-14,17,19,28H,1-2,7-9,11H2,(H2,27,32)(H,29,30)/t14-,17+,19+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147707
PNG
(US8962608, 28-17)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CC2(CCC2)C1
Show InChI InChI=1S/C24H27F3N6O/c25-24(26,27)16-2-4-17(5-3-16)30-22-19(21(29)34)12-33(31-22)20-7-6-18(10-15(20)11-28)32-13-23(14-32)8-1-9-23/h2-5,12,15,18,20H,1,6-10,13-14H2,(H2,29,34)(H,30,31)/t15-,18+,20+/m1/s1
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n/an/a 121n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147710
PNG
(US8962608, 28-20)
Show SMILES C[C@H]1C[C@H](C)N1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15+,18+,20-/m0/s1
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n/an/a 355n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147711
PNG
(US8962608, 28-21)
Show SMILES C[C@H]1C[C@H](C)N1[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-13-9-14(2)32(13)18-7-8-20(15(10-18)11-27)31-12-19(21(28)33)22(30-31)29-17-5-3-16(4-6-17)23(24,25)26/h3-6,12-15,18,20H,7-10H2,1-2H3,(H2,28,33)(H,29,30)/t13-,14-,15+,18-,20-/m0/s1
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n/an/a 335n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147802
PNG
(US8962608, 28-121)
Show SMILES CC1CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-13)17-6-7-19(14(8-17)9-26)31-12-18(20(27)32)21(29-31)28-16-4-2-15(3-5-16)22(23,24)25/h2-5,12-14,17,19H,6-8,10-11H2,1H3,(H2,27,32)(H,28,29)/t14-,17+,19+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147812
PNG
(US8962608, 28-131)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)N1CCC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16-,18+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147817
PNG
(US8962608, 28-137)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NC1CC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)13-1-3-15(4-2-13)28-20-17(19(26)31)11-30(29-20)18-8-7-16(9-12(18)10-25)27-14-5-6-14/h1-4,11-12,14,16,18,27H,5-9H2,(H2,26,31)(H,28,29)/t12-,16+,18+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147819
PNG
(US8962608, 28-139)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@H](C[C@@H]1C#N)NC1CC1
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)13-1-3-15(4-2-13)28-20-17(19(26)31)11-30(29-20)18-8-7-16(9-12(18)10-25)27-14-5-6-14/h1-4,11-12,14,16,18,27H,5-9H2,(H2,26,31)(H,28,29)/t12-,16-,18+/m1/s1
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n/an/a 113n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147873
PNG
(US8962608, 28-197)
Show SMILES CC1(C)CCN1[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)9-10-31(22)17-7-8-19(14(11-17)12-27)32-13-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,13-14,17,19H,7-11H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17-,19+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147874
PNG
(US8962608, 28-198)
Show SMILES CC1(O)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O2/c1-21(33)11-30(12-21)16-6-7-18(13(8-16)9-26)31-10-17(19(27)32)20(29-31)28-15-4-2-14(3-5-15)22(23,24)25/h2-5,10,13,16,18,33H,6-8,11-12H2,1H3,(H2,27,32)(H,28,29)/t13-,16+,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147875
PNG
(US8962608, 28-199)
Show SMILES CC1(O)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N6O2/c1-21(33)11-30(12-21)16-6-7-18(13(8-16)9-26)31-10-17(19(27)32)20(29-31)28-15-4-2-14(3-5-15)22(23,24)25/h2-5,10,13,16,18,33H,6-8,11-12H2,1H3,(H2,27,32)(H,28,29)/t13-,16-,18+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147878
PNG
(US8962608, 28-202)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)12-31(13-22)17-7-8-19(14(9-17)10-27)32-11-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,11,14,17,19H,7-9,12-13H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17+,19+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM147879
PNG
(US8962608, 28-203)
Show SMILES CC1(C)CN(C1)[C@@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H27F3N6O/c1-22(2)12-31(13-22)17-7-8-19(14(9-17)10-27)32-11-18(20(28)33)21(30-32)29-16-5-3-15(4-6-16)23(24,25)26/h3-6,11,14,17,19H,7-9,12-13H2,1-2H3,(H2,28,33)(H,29,30)/t14-,17-,19+/m1/s1
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n/an/a 285n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147700
PNG
(US8962608, 28-10)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)NCC1CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)15-3-5-16(6-4-15)29-21-18(20(27)32)12-31(30-21)19-8-7-17(9-14(19)10-26)28-11-13-1-2-13/h3-6,12-14,17,19,28H,1-2,7-9,11H2,(H2,27,32)(H,29,30)/t14-,17+,19+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair