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Patent code US10072025

Compile Data Set for Download or QSAR
Found 140 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))
BDBM277322
PNG
(US10072025, Example 1-3 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
PDB

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n/an/a 0.120n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277377
PNG
(US10072025, Example 3-11 | tert-butyl 4-ethyl-4-[3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.190n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277320
PNG
(US10072025, Example 1-1 | tert-butyl 4-(3-(4-(N,N-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277366
PNG
(4-((1-(1-(tert- butoxycarbonyl)-4- ethylpiperidin-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(O)=O)c(C)c2)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277377
PNG
(US10072025, Example 3-11 | tert-butyl 4-ethyl-4-[3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277367
PNG
(US10072025, Example 3-1 | tert-butyl-4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(=O)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.25n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277376
PNG
(US10072025, Example 3-10 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.290n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277352
PNG
(US10072025, Example 2-30 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCN(C)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.290n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277336
PNG
(US10072025, Example 2-14 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277372
PNG
(US10072025, Example 3-6 | tert-butyl 4-ethyl-4-[3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277352
PNG
(US10072025, Example 2-30 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCN(C)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.360n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277344
PNG
(US10072025, Example 2-22 | tert-butyl 4-(3-(4-((1S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.360n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277331
PNG
(US10072025, Example 2-11 | US10072025, Example 2-9...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.370n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277326
PNG
(US10072025, Example 2-4 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(C)CC2)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277331
PNG
(US10072025, Example 2-11 | US10072025, Example 2-9...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.370n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277362
PNG
(US10072025, Example 2-40 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.380n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277320
PNG
(US10072025, Example 1-1 | tert-butyl 4-(3-(4-(N,N-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O
PDB

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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277337
PNG
(US10072025, Example 2-15 | tert-butyl 4-(3-((4- ((...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H]4C[C@@H]3CO4)c(C)c2)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277376
PNG
(US10072025, Example 3-10 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.430n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277336
PNG
(US10072025, Example 2-14 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.430n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277372
PNG
(US10072025, Example 3-6 | tert-butyl 4-ethyl-4-[3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.430n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277337
PNG
(US10072025, Example 2-15 | tert-butyl 4-(3-((4- ((...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H]4C[C@@H]3CO4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.430n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277344
PNG
(US10072025, Example 2-22 | tert-butyl 4-(3-(4-((1S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.440n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277331
PNG
(US10072025, Example 2-11 | US10072025, Example 2-9...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.470n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277331
PNG
(US10072025, Example 2-11 | US10072025, Example 2-9...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.470n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277346
PNG
(US10072025, Example 2-24 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277323
PNG
(US10072025, Example 2-1 | tert-butyl 4-(3-((4-(8-o...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.470n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277323
PNG
(US10072025, Example 2-1 | tert-butyl 4-(3-((4-(8-o...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277350
PNG
((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(3- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.510n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277328
PNG
((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.510n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277328
PNG
((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.510n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277373
PNG
(US10072025, Example 3-7 | tert-butyl 4-{3-[(4- {[(...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.520n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277335
PNG
(US10072025, Example 2-13 | tert-butyl 4-(3-((4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C4CCC3COC4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.520n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277385
PNG
(US10072025, Example 3-19 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.530n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277339
PNG
(US10072025, Example 2-17 | tert-butyl 4-(3-((3- (c...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2cccc(CC#N)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.530n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277350
PNG
((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(3- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.540n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277335
PNG
(US10072025, Example 2-13 | tert-butyl 4-(3-((4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C4CCC3COC4)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.540n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277327
PNG
(US10072025, Example 2-5 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCOCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.540n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277378
PNG
(US10072025, Example 3-12 | tert-butyl 4-ethyl-4-[3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(CC3)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.560n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277326
PNG
(US10072025, Example 2-4 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(C)CC2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.560n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277334
PNG
(US10072025, Example 2-12 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.560n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277330
PNG
((5)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.570n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277340
PNG
(US10072025, Example 2-18 | tert-butyl 4-(3-(4-((3S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.570n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277329
PNG
((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277327
PNG
(US10072025, Example 2-5 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCOCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277340
PNG
(US10072025, Example 2-18 | tert-butyl 4-(3-(4-((3S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.610n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277368
PNG
(US10072025, Example 3-2 | tert-butyl 4-[3-({4-[(2,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.610n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277330
PNG
((5)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.620n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277373
PNG
(US10072025, Example 3-7 | tert-butyl 4-{3-[(4- {[(...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.630n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277322
PNG
(US10072025, Example 1-3 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
PDB

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n/an/a 0.640n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277341
PNG
(US10072025, Example 2-19 | tert-butyl 4-(3-(4-((3S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.650n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277378
PNG
(US10072025, Example 3-12 | tert-butyl 4-ethyl-4-[3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(CC3)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.680n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277388
PNG
(US10072025, Example 3-22 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277329
PNG
((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.720n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277355
PNG
(US10072025, Example 2-33 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.730n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277371
PNG
(US10072025, Example 3-5 | tert-butyl 4-[3-({4-[(3,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.730n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277334
PNG
(US10072025, Example 2-12 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.740n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277368
PNG
(US10072025, Example 3-2 | tert-butyl 4-[3-({4-[(2,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.75n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277342
PNG
(US10072025, Example 2-20 | tert-butyl 4-(3-(4-((3R...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.790n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277375
PNG
(US10072025, Example 3-9 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.790n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277367
PNG
(US10072025, Example 3-1 | tert-butyl-4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(=O)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277346
PNG
(US10072025, Example 2-24 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1
PDB

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n/an/a 0.840n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277342
PNG
(US10072025, Example 2-20 | tert-butyl 4-(3-(4-((3R...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.840n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277343
PNG
(US10072025, Example 2-21 | US10072025, Example 2-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.840n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277343
PNG
(US10072025, Example 2-21 | US10072025, Example 2-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.840n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277341
PNG
(US10072025, Example 2-19 | tert-butyl 4-(3-(4-((3S...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.850n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277388
PNG
(US10072025, Example 3-22 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.870n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277385
PNG
(US10072025, Example 3-19 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.890n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277365
PNG
(US10072025, Example 2-43 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(O)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277343
PNG
(US10072025, Example 2-21 | US10072025, Example 2-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.930n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277374
PNG
(US10072025, Example 3-8 | tert-butyl 4-ethyl-4-{3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.930n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277343
PNG
(US10072025, Example 2-21 | US10072025, Example 2-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.930n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277369
PNG
(US10072025, Example 3-3 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4(CCCC4)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.990n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277385
PNG
(US10072025, Example 3-19 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 0.990n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277374
PNG
(US10072025, Example 3-8 | tert-butyl 4-ethyl-4-{3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.01n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.04n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277375
PNG
(US10072025, Example 3-9 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCSCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.05n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277355
PNG
(US10072025, Example 2-33 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.06n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.07n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277370
PNG
(US10072025, Example 3-4 | tert-butyl 4-{3-[(4- {[(...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.09n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277345
PNG
(US10072025, Example 2-23 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCNCC2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.13n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277388
PNG
(US10072025, Example 3-22 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.14n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277370
PNG
(US10072025, Example 3-4 | tert-butyl 4-{3-[(4- {[(...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277348
PNG
(US10072025, Example 2-26 | tert-butyl 4-(3-(4-(4,4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(F)(F)CC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.19n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277371
PNG
(US10072025, Example 3-5 | tert-butyl 4-[3-({4-[(3,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277385
PNG
(US10072025, Example 3-19 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.23n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277388
PNG
(US10072025, Example 3-22 | US10072025, Example 3-2...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOC(C)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.30n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277387
PNG
(US10072025, Example 3-21 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4CC34)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277348
PNG
(US10072025, Example 2-26 | tert-butyl 4-(3-(4-(4,4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(F)(F)CC3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.44n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277369
PNG
(US10072025, Example 3-3 | tert-butyl 4-ethyl-4-(3-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4(CCCC4)C3)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.53n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277364
PNG
(US10072025, Example 2-42 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 1.65n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277387
PNG
(US10072025, Example 3-21 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC4CC34)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.69n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277347
PNG
(US10072025, Example 2-25 | tert-butyl 4-(3-(3- (di...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(c2)C(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 1.73n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.76n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277351
PNG
(US10072025, Example 2-29 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1
PDB

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n/an/a 1.79n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.80n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.87n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277345
PNG
(US10072025, Example 2-23 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCNCC2)c2c1cc[nH]c2=O
PDB

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n/an/a 1.92n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277366
PNG
(4-((1-(1-(tert- butoxycarbonyl)-4- ethylpiperidin-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(O)=O)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277361
PNG
((R or S)-tert-butyl 4-ethyl- 4-(3-(4-(2- methylpyr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@H]2C)c2c1cc[nH]c2=O
PDB

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n/an/a 2.13n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277354
PNG
((S or R)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.19n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277354
PNG
((S or R)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277360
PNG
((S or R)-tert-butyl 4-ethyl- 4-(3-(4-(2- methylpyr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2C)c2c1cc[nH]c2=O
PDB

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n/an/a 2.38n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277356
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-(4-(2- (tr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.5n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277356
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-(4-(2- (tr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277353
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277351
PNG
(US10072025, Example 2-29 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCSCC1
PDB

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n/an/a 2.72n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277353
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.74n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277360
PNG
((S or R)-tert-butyl 4-ethyl- 4-(3-(4-(2- methylpyr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2C)c2c1cc[nH]c2=O
PDB

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n/an/a 2.78n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277361
PNG
((R or S)-tert-butyl 4-ethyl- 4-(3-(4-(2- methylpyr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N2CCC[C@H]2C)c2c1cc[nH]c2=O
PDB

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n/an/a 2.79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277347
PNG
(US10072025, Example 2-25 | tert-butyl 4-(3-(3- (di...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCSCC3)c(c2)C(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277357
PNG
((S or R)-tert-butyl 4-ethyl- 4-(4-oxo-3-(4-(2- (tr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.82n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277321
PNG
(2-tert-butyl-5-[[1-(1-tert- butyl-6-ethyl-2-oxo-1,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 2.86n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 2.88n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277365
PNG
(US10072025, Example 2-43 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(O)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 2.91n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277324
PNG
(US10072025, Example 2-2 | tert-butyl 4-(3-(2-(4,4-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3C(=O)N(Cc3c2)C2(C)CCC(F)(F)CC2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277324
PNG
(US10072025, Example 2-2 | tert-butyl 4-(3-(2-(4,4-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3C(=O)N(Cc3c2)C2(C)CCC(F)(F)CC2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.21n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277339
PNG
(US10072025, Example 2-17 | tert-butyl 4-(3-((3- (c...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2cccc(CC#N)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277321
PNG
(2-tert-butyl-5-[[1-(1-tert- butyl-6-ethyl-2-oxo-1,...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277379
PNG
(US10072025, Example 3-13 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)C3C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.53n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277357
PNG
((S or R)-tert-butyl 4-ethyl- 4-(4-oxo-3-(4-(2- (tr...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 3.55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277383
PNG
(US10072025, Example 3-17 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3CC(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 3.92n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277363
PNG
(US10072025, Example 2-41 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(OC)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 4.40n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277364
PNG
(US10072025, Example 2-42 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 4.62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277383
PNG
(US10072025, Example 3-17 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3CC(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 4.77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277362
PNG
(US10072025, Example 2-40 | tert-butyl 4-ethyl-4-(3...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 5.24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277383
PNG
(US10072025, Example 3-17 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3CC(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 5.33n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277383
PNG
(US10072025, Example 3-17 | US10072025, Example 3-1...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3CC(C)C)c(C)c2)c2c1cc[nH]c2=O
PDB

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n/an/a 5.45n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277359
PNG
((S or R)-tert-butyl 4-(3-(4- (1-(tert-butylamino)-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 6.59n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277363
PNG
(US10072025, Example 2-41 | tert-butyl 4-ethyl-4-(4...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C(C)(OC)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 6.87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277359
PNG
((S or R)-tert-butyl 4-(3-(4- (1-(tert-butylamino)-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 7.69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277358
PNG
((R or S)-tert-butyl 4-(3-(4- (1-(tert-butylamino)-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 8.43n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277338
PNG
((S or R)-tert-butyl-4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 8.85n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277338
PNG
((S or R)-tert-butyl-4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 10.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277325
PNG
(US10072025, Example 2-3 | tert-butyl 4-ethyl-4-(4-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(CC(F)(F)F)CC2)c2c1cc[nH]c2=O
PDB

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n/an/a 10.2n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277358
PNG
((R or S)-tert-butyl 4-(3-(4- (1-(tert-butylamino)-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@@H](NC(C)(C)C)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277332
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 13.9n/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 US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277332
PNG
((R or S)-tert-butyl 4-ethyl- 4-(4-oxo-3-((4-(2- (t...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)[C@]2(CCCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
PDB

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n/an/a 16.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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


(Homo sapiens (Human))
BDBM277325
PNG
(US10072025, Example 2-3 | tert-butyl 4-ethyl-4-(4-...)
Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(CC(F)(F)F)CC2)c2c1cc[nH]c2=O
PDB

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n/an/a 71.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10072025 (2018)

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