Compile Data Set for Download or QSAR
Found 1490 with Last Name = 'wakenhut' and Initial = 'fm'
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281327(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.100nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281327(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.100nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281307(US10022376, Example 125)
Show SMILES CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)SC)n1
Show InChI InChI=1S/C23H25N5OS/c1-4-15-11-17(29)9-10-18(15)20-12-21-19(14-25-27-21)23(26-20)24-13-16-7-5-6-8-22(16)28(2)30-3/h5-12,14,29H,4,13H2,1-3H3,(H,24,26)(H,25,27)
Affinity DataIC50: 0.200nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM286208(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)
Affinity DataIC50: 0.200nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM281327(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.300nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM281327(US10022376, Example 137)
Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.300nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM50234911(CHEMBL3928932)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281310(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)
Affinity DataIC50: 0.5nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139694(US8895544, 4)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[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)
Affinity DataIC50: 0.5nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139692(US8895544, 2 | US8895544, 3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1
Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)
Affinity DataIC50: 0.5nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM50234908(CHEMBL4093813)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM286364(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)
Affinity DataIC50: 0.5nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281310(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)
Affinity DataIC50: 0.5nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281344(N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H23F2N5O3S/c1-4-13-8-22(31)18(25)9-14(13)19-10-20-16(12-27-29-20)23(28-19)26-11-15-17(24)6-5-7-21(15)30(2)34(3,32)33/h5-10,12,31H,4,11H2,1-3H3,(H,26,28)(H,27,29)
Affinity DataIC50: 0.5nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281328(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)
Affinity DataIC50: 0.600nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.600nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM286314(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)
Affinity DataIC50: 0.600nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139703(US8895544, 16)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N
Show InChI InChI=1S/C28H22FN7O2/c1-2-15-10-25(37)21(29)11-20(15)16-4-6-19-23(9-16)34-35-26(19)27-32-22-7-8-36(14-24(22)33-27)28(38)17-3-5-18(12-30)31-13-17/h3-6,9-11,13,37H,2,7-8,14H2,1H3,(H,32,33)(H,34,35)
Affinity DataIC50: 0.700nMpH: 7.5 T: 2°CAssay Description:JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281331(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
Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(3)34(32,33)5-2/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)
Affinity DataIC50: 0.700nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281331(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
Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(3)34(32,33)5-2/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)
Affinity DataIC50: 0.700nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.700nMpH: 7.5 T: 2°CAssay Description:JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM50234903(CHEMBL4103980)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281345(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
Show InChI InChI=1S/C25H28FN5O3S/c1-4-16-11-24(32)20(26)12-18(16)21-13-22-19(15-28-30-22)25(29-21)27-14-17-9-7-8-10-23(17)31(5-2)35(33,34)6-3/h7-13,15,32H,4-6,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.800nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139701(US8895544, 14)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)CCc2[nH]1
Show InChI InChI=1S/C29H28FN5O/c1-2-19-15-27(36)23(30)16-22(19)20-8-9-21-26(14-20)33-34-28(21)29-31-24-10-12-35(13-11-25(24)32-29)17-18-6-4-3-5-7-18/h3-9,14-16,36H,2,10-13,17H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.800nMpH: 7.5 T: 2°CAssay Description:JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281345(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
Show InChI InChI=1S/C25H28FN5O3S/c1-4-16-11-24(32)20(26)12-18(16)21-13-22-19(15-28-30-22)25(29-21)27-14-17-9-7-8-10-23(17)31(5-2)35(33,34)6-3/h7-13,15,32H,4-6,14H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 0.800nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281339(US10022376, Example 146)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O
Show InChI InChI=1S/C24H26FN5O3S/c1-5-15-10-23(31)19(25)11-17(15)20-12-21-18(13-26-28-21)24(27-20)29(2)14-16-8-6-7-9-22(16)30(3)34(4,32)33/h6-13,31H,5,14H2,1-4H3,(H,26,28)
Affinity DataIC50: 0.900nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281339(US10022376, Example 146)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O
Show InChI InChI=1S/C24H26FN5O3S/c1-5-15-10-23(31)19(25)11-17(15)20-12-21-18(13-26-28-21)24(27-20)29(2)14-16-8-6-7-9-22(16)30(3)34(4,32)33/h6-13,31H,5,14H2,1-4H3,(H,26,28)
Affinity DataIC50: 0.900nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281343(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
Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(H,28,29)(H,30,31)
Affinity DataIC50: 0.900nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281343(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
Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(H,28,29)(H,30,31)
Affinity DataIC50: 0.900nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM281307(US10022376, Example 125)
Show SMILES CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)SC)n1
Show InChI InChI=1S/C23H25N5OS/c1-4-15-11-17(29)9-10-18(15)20-12-21-19(14-25-27-21)23(26-20)24-13-16-7-5-6-8-22(16)28(2)30-3/h5-12,14,29H,4,13H2,1-3H3,(H,24,26)(H,25,27)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281419(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
Show InChI InChI=1S/C24H25FN6O5S/c1-4-12-7-20(33)16(25)9-15(12)17-10-18-21(22(23(26)34)30-29-18)24(28-17)27-11-13-5-6-14(32)8-19(13)31(2)37(3,35)36/h5-10,32-33H,4,11H2,1-3H3,(H2,26,34)(H,27,28)(H,29,30)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM286322(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)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281332(US10022376, Example 145)
Show SMILES CCN(c1ccccc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O3S/c1-5-16-11-24(32)20(26)12-18(16)21-13-22-19(14-27-29-22)25(28-21)30(3)15-17-9-7-8-10-23(17)31(6-2)35(4,33)34/h7-14,32H,5-6,15H2,1-4H3,(H,27,29)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139699(US8895544, 11)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccsn1
Show InChI InChI=1S/C26H23FN6O2S/c1-2-14-12-23(34)18(27)13-17(14)15-3-4-16-22(11-15)30-31-24(16)25-28-19-5-8-33(9-6-20(19)29-25)26(35)21-7-10-36-32-21/h3-4,7,10-13,34H,2,5-6,8-9H2,1H3,(H,28,29)(H,30,31)
Affinity DataIC50: 1nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281419(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
Show InChI InChI=1S/C24H25FN6O5S/c1-4-12-7-20(33)16(25)9-15(12)17-10-18-21(22(23(26)34)30-29-18)24(28-17)27-11-13-5-6-14(32)8-19(13)31(2)37(3,35)36/h5-10,32-33H,4,11H2,1-3H3,(H2,26,34)(H,27,28)(H,29,30)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139702(US8895544, 15)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C27H22ClFN6O2/c1-2-14-10-24(36)19(29)11-18(14)15-3-5-17-22(9-15)33-34-25(17)26-31-20-7-8-35(13-23(20)32-26)27(37)21-6-4-16(28)12-30-21/h3-6,9-12,36H,2,7-8,13H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 1nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM286208(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)
Affinity DataIC50: 1nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139692(US8895544, 2 | US8895544, 3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1
Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)
Affinity DataIC50: 1nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM286328(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)
Affinity DataIC50: 1.10nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM44378(US8895544, 29)
Show SMILES Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H22F4N8O2/c32-21-11-20(17(10-25(21)44)12-31(33,34)35)16-4-5-19-22(8-16)41-42-27(19)30-39-23-9-18(13-38-29(23)40-30)28(45)24-14-37-26(15-36-24)43-6-2-1-3-7-43/h4-5,8-11,13-15,44H,1-3,6-7,12H2/b30-27+
Affinity DataIC50: 1.10nMpH: 7.5 T: 2°CAssay Description:JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281335(US10022376, Example 147)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1
Show InChI InChI=1S/C24H26FN5O4S/c1-3-15-10-23(32)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-6-4-5-7-22(16)30(8-9-31)35(2,33)34/h4-7,10-12,14,31-32H,3,8-9,13H2,1-2H3,(H,26,28)(H,27,29)
Affinity DataIC50: 1.10nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281330(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
Show InChI InChI=1S/C23H23ClFN5O3S/c1-4-13-8-22(31)18(25)9-16(13)19-10-20-17(12-27-29-20)23(28-19)26-11-14-7-15(24)5-6-21(14)30(2)34(3,32)33/h5-10,12,31H,4,11H2,1-3H3,(H,26,28)(H,27,29)
Affinity DataIC50: 1.20nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM139710(US8895544, 23)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(Cc3cnc4ccccc4c3)CCc2[nH]1
Show InChI InChI=1S/C31H27FN6O/c1-2-19-13-29(39)24(32)14-23(19)20-7-8-22-27(12-20)36-37-30(22)31-34-26-9-10-38(17-28(26)35-31)16-18-11-21-5-3-4-6-25(21)33-15-18/h3-8,11-15,39H,2,9-10,16-17H2,1H3,(H,34,35)(H,36,37)
Affinity DataIC50: 1.20nMpH: 7.5 T: 2°CAssay Description:JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

US Patent
LigandPNGBDBM281346(US10022376, Example 155)
Show SMILES CCc1cc(O)c(F)cc1-c1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2cn[nH]c2n1
Show InChI InChI=1S/C22H23FN6O3S/c1-4-13-9-19(30)17(23)10-15(13)21-26-20(16-12-25-28-22(16)27-21)24-11-14-7-5-6-8-18(14)29(2)33(3,31)32/h5-10,12,30H,4,11H2,1-3H3,(H2,24,25,26,27,28)
Affinity DataIC50: 1.20nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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