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Patent code US10081635

Compile Data Set for Download or QSAR
Found 20 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))
BDBM286099
PNG
(N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...)
Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
PDB

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



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 5.80n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286095
PNG
((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 8.5n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 24.7n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 29.3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 40.4n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 58.6n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 110n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 148n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286099
PNG
(N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...)
Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
PDB

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n/an/a 198n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286095
PNG
((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 252n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286095
PNG
((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 412n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286099
PNG
(N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...)
Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
PDB

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n/an/a 422n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 694n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286097
PNG
((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 787n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286097
PNG
((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286099
PNG
(N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...)
Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286097
PNG
((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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


(Homo sapiens (Human))
BDBM286097
PNG
((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286095
PNG
((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
PDB

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n/an/a 1.09E+3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)

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