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Patent code US9518052

Compile Data Set for Download or QSAR

Found 676 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))
BDBM281327
PNG
(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
PDB

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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286208
PNG
(US9518052, Example 125)
Show SMILES CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)SC)n1
Show InChI InChI=1S/C23H27N5OS/c1-4-15-11-17(29)9-10-18(15)21-12-20(25)19(13-24)23(27-21)26-14-16-7-5-6-8-22(16)28(2)30-3/h5-13,24,29H,4,14H2,1-3H3,(H3,25,26,27)
PDB

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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281327
PNG
(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286364
PNG
(N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H25F2N5O3S/c1-4-13-8-22(31)18(25)9-14(13)20-10-19(27)15(11-26)23(29-20)28-12-16-17(24)6-5-7-21(16)30(2)34(3,32)33/h5-11,26,31H,4,12H2,1-3H3,(H3,27,28,29)
PDB

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n/an/a<0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281310
PNG
(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
PDB

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n/an/a<0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286314
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C24H28FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-13,26,31H,4-5,14H2,1-3H3,(H3,27,28,29)
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281331
PNG
(N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281345
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281339
PNG
(US10022376, Example 146)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281343
PNG
(6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-N-methyl-4-(...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286208
PNG
(US9518052, Example 125)
Show SMILES CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)SC)n1
Show InChI InChI=1S/C23H27N5OS/c1-4-15-11-17(29)9-10-18(15)21-12-20(25)19(13-24)23(27-21)26-14-16-7-5-6-8-22(16)28(2)30-3/h5-13,24,29H,4,14H2,1-3H3,(H3,25,26,27)
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286322
PNG
(US9518052, Example 145)
Show SMILES CCN(c1ccccc1CN(C)c1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H30FN5O3S/c1-5-16-11-24(32)20(26)12-18(16)22-13-21(28)19(14-27)25(29-22)30(3)15-17-9-7-8-10-23(17)31(6-2)35(4,33)34/h7-14,27,32H,5-6,15H2,1-4H3,(H2,28,29)
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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281419
PNG
(US10022376, Example 30)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(N)=O)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286328
PNG
(US9518052, Example 147)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1
Show InChI InChI=1S/C24H28FN5O4S/c1-3-15-10-23(32)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-6-4-5-7-22(16)30(8-9-31)35(2,33)34/h4-7,10-13,26,31-32H,3,8-9,14H2,1-2H3,(H3,27,28,29)
PDB

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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286373
PNG
(US9518052, Example 155)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H26FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)20-11-19(26)17(12-25)23(28-20)27-13-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-12,25,30H,4,13H2,1-3H3,(H3,26,27,28)
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281330
PNG
(N-[4-chloro-2-({[6-(2-ethyl-5-fluoro-4-hydroxyphen...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2cc(Cl)ccc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281371
PNG
(US10022376, Example 31)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281418
PNG
(US10022376, Example 29)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286364
PNG
(N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H25F2N5O3S/c1-4-13-8-22(31)18(25)9-14(13)20-10-19(27)15(11-26)23(29-20)28-12-16-17(24)6-5-7-21(16)30(2)34(3,32)33/h5-11,26,31H,4,12H2,1-3H3,(H3,27,28,29)
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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281353
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-({2-fluoro-...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM287021
PNG
(6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phen...)
Show SMILES CNC(=O)C(=N)c1c(N)cc(nc1NCc1cc(O)ccc1N(C)S(C)(=O)=O)-c1cc(F)c(O)cc1CC(F)(F)F
Show InChI InChI=1S/C25H26F4N6O5S/c1-32-24(38)22(31)21-17(30)9-18(15-8-16(26)20(37)7-12(15)10-25(27,28)29)34-23(21)33-11-13-6-14(36)4-5-19(13)35(2)41(3,39)40/h4-9,31,36-37H,10-11H2,1-3H3,(H,32,38)(H3,30,33,34)
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286976
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-({2-[ethyl(...)
Show SMILES CCN(c1ccccc1CNc1nc(cc(N)c1C(=N)C(=O)NC)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C26H31FN6O4S/c1-5-15-11-22(34)18(27)12-17(15)20-13-19(28)23(24(29)26(35)30-3)25(32-20)31-14-16-9-7-8-10-21(16)33(6-2)38(4,36)37/h7-13,29,34H,5-6,14H2,1-4H3,(H,30,35)(H3,28,31,32)
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281354
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-({5-fluoro-...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(F)ccc2N(C)S(C)(=O)=O)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281369
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-{[2-(4-hydr...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCCc2ccc(O)cc2)n1
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286338
PNG
(US9518052, Example 148)
Show SMILES CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N5O3S/c1-32(36(2,34)35)20-6-4-3-5-13(20)12-30-22-16(11-28)18(29)9-19(31-22)15-8-17(24)21(33)7-14(15)10-23(25,26)27/h3-9,11,28,33H,10,12H2,1-2H3,(H3,29,30,31)
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281351
PNG
(6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-4-({2-[(ethy...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281363
PNG
(US10022376, Example 93)
Show SMILES CCc1cc(O)c(F)cc1-c1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2c(n[nH]c2n1)C(=O)NC
PDB

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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281385
PNG
(US10022376, Example 92)
Show SMILES CN(c1ccc(O)cc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281349
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-N-methyl-4-[(...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCC(C)C)n1
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281450
PNG
(US10022376, Example 55)
Show SMILES CNC(=O)c1n[nH]c2cc(nc(NCc3ncccc3N(C)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281310
PNG
(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286314
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C24H28FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-13,26,31H,4-5,14H2,1-3H3,(H3,27,28,29)
PDB

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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281341
PNG
(US10022376, Example 149)
Show SMILES CN(Cc1ccccc1N(C)S(C)(=O)=O)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC(F)(F)F
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281355
PNG
(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-N-methyl-4-({...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(C)ccc2N(C)S(C)(=O)=O)n1
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281424
PNG
(4-({2-[ethyl(methyl-sulfonyl)amino]benzyl}amino)-6...)
Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281444
PNG
(4-[({2-[ethyl(methyl-sulfonyl)-amino]pyridin-3-yl}...)
Show SMILES CCN(c1ncccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281445
PNG
(6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phen...)
Show SMILES CN(c1ncccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM287036
PNG
(6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phen...)
Show SMILES CS(=O)(=O)N(CCO)c1ccccc1CNc1nc(cc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F
Show InChI InChI=1S/C25H26F4N6O5S/c1-41(39,40)35(6-7-36)19-5-3-2-4-13(19)12-33-24-21(22(31)23(32)38)17(30)10-18(34-24)15-9-16(26)20(37)8-14(15)11-25(27,28)29/h2-5,8-10,31,36-37H,6-7,11-12H2,1H3,(H2,32,38)(H3,30,33,34)
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281473
PNG
(4-[({3-[ethyl(methylsul-fonyl)-amino]pyrazin-2-yl}...)
Show SMILES CCN(c1nccnc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281415
PNG
(6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroeth-yl)phe...)
Show SMILES CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3N(CCO)S(C)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281352
PNG
(4-({5-chloro-2-[methyl(methyl-sulfonyl)amino]benzy...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(Cl)ccc2N(C)S(C)(=O)=O)n1
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281398
PNG
(US10022376, Example 105)
Show SMILES CN(c1ccc(O)cc1CNc1nc(nc2[nH]nc(-c3nc4CN(CCc4[nH]3)C(C)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C30H27F4N9O5S/c1-14(44)43-7-6-20-21(13-43)37-29(36-20)25-24-27(35-12-16-8-17(45)4-5-22(16)42(2)49(3,47)48)38-26(39-28(24)41-40-25)18-10-19(31)23(46)9-15(18)11-30(32,33)34/h4-5,8-10,45-46H,6-7,11-13H2,1-3H3,(H,35,38,39)/b29-25+
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM287010
PNG
(US9518052, Example 170)
Show SMILES CN(c1ccc(O)cc1CNc1nc(nc(N)c1C(=N)C(N)=O)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N7O5S/c1-34(40(2,38)39)15-4-3-12(35)5-11(15)9-31-22-17(18(28)20(30)37)19(29)32-21(33-22)13-7-14(24)16(36)6-10(13)8-23(25,26)27/h3-7,28,35-36H,8-9H2,1-2H3,(H2,30,37)(H3,29,31,32,33)
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281327
PNG
(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM286215
PNG
(N-{2-[6-(2-ethyl-4-hydroxyphenyl)-1H-pyrazolo[4,3-...)
Show SMILES CCc1cc(O)ccc1-c1cc2[nH]ncc2c(n1)N1CCc2c(C1)cccc2N[S](C)O
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281386
PNG
(US10022376, Example 77 | US10022376, Example 98)
Show SMILES CN(c1ccccc1CNc1nc(cc2[nH]nc(C(N)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281449
PNG
(6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroeth-yl)phe...)
Show SMILES CNC(=O)c1n[nH]c2cc(nc(NCc3ccccc3CS(N)(=O)=O)c12)-c1cc(F)c(O)cc1CC(F)(F)F
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281378
PNG
(US10022376, Example 157)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(-c3ncc[nH]3)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C26H24FN7O3S/c1-4-15-11-22(35)18(27)12-17(15)19-13-20-23(24(33-32-20)26-28-9-10-29-26)25(31-19)30-14-16-7-5-6-8-21(16)34(2)38(3,36)37/h5-13,35H,4,14H2,1-3H3,(H,30,31)
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281336
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccc(C)cc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
PDB

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



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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


(Homo sapiens (Human))
BDBM281357
PNG
(4-({2-[ethyl(ethylsulfonyl)-amino]benzyl}amino)-6-...)
Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]nc(C(=O)NC)c12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC
PDB

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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

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