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Patent code US10882859

Compile Data Set for Download or QSAR
Found 12 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM477066
PNG
(US10882859, Example 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)
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n/an/an/a 0.0980n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477067
PNG
(US10882859, Example 2(a))
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)
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n/an/an/a 0.0690n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477065
PNG
(US10882859, Reference compound PF-06263276)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
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n/an/an/a 2.70n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477066
PNG
(US10882859, Example 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)
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n/an/an/a 0.110n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477066
PNG
(US10882859, Example 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)
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n/an/an/a 0.0520n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477065
PNG
(US10882859, Reference compound PF-06263276)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
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n/an/an/a 1.90n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477067
PNG
(US10882859, Example 2(a))
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)
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n/an/an/a 0.0340n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477065
PNG
(US10882859, Reference compound PF-06263276)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
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n/an/an/a 0.780n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477067
PNG
(US10882859, Example 2(a))
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)
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n/an/an/a 0.0460n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477065
PNG
(US10882859, Reference compound PF-06263276)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
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n/an/an/a 1.90n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477066
PNG
(US10882859, Example 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)
PDB

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n/an/an/a 0.620n/an/an/an/an/a



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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


(Homo sapiens (Human))
BDBM477067
PNG
(US10882859, Example 2(a))
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)
PDB

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



TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The biochemical JAK family enzyme binding assays carried out at DiscoveRx.


US Patent US10882859 (2021)

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