Compile Data Set for Download or QSAR
Found 264 of kd for UniProtKB: P23458
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM477067(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)
Affinity DataKd:  0.600nMAssay Description:The biochemical JAK family enzyme binding assays carried out at DiscoveRx.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM477066(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)
Affinity DataKd:  0.620nMAssay Description:The biochemical JAK family enzyme binding assays carried out at DiscoveRx.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50326053(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Affinity DataKd: >1nMAssay Description:Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataKd: >1nMAssay Description:Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataKd:  1.60nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataKd:  1.70nMAssay Description:Inhibition of JAK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM214689(US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1
Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1
Affinity DataKd:  2.5nMAssay Description:Inhibition of JAK1 (unknown origin) assessed as dissociate constantMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM477065(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)
Affinity DataKd:  2.70nMAssay Description:The biochemical JAK family enzyme binding assays carried out at DiscoveRx.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50355501(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
Affinity DataKd:  3.40nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataIC50: 6.70nM Kd:  4.70nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100350(US10533001, Example 99 | US11414410, Example 99 | ...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)
Affinity DataKd:  4.70nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
Affinity DataKd:  4.80nMAssay Description:Binding constant for JAK1(JH2domain-pseudokinase) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataKd:  6.10nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100348(US10533001, Example Table 9a.1 | US11414410, Table...)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
Affinity DataKd:  6.70nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50308060(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Affinity DataKd:  8.80nMAssay Description:Binding affinity to JH1 catalytic domain JAK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50308060(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Affinity DataKd:  8.80nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  9nMAssay Description:Inhibition of Jak1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  9.20nMAssay Description:Average Binding Constant for JAK1 (Kin.Dom. 1); NA=Not Active at 10 uMMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100349(US10533001, Example Table 9a.2 | US11414410, Table...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
Affinity DataKd:  11nMAssay Description:The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100349(US10533001, Example Table 9a.2 | US11414410, Table...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
Affinity DataKd:  11nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100349(US10533001, Example Table 9a.2 | US11414410, Table...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
Affinity DataKd:  11nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100349(US10533001, Example Table 9a.2 | US11414410, Table...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
Affinity DataKd:  11nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50426601(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
Affinity DataKd:  12nMAssay Description:Binding affinity to JAK1 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM100351(US10533001, Example Table 9a.4 | US11414410, Table...)
Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1
Affinity DataKd:  14nMAssay Description:ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM50332294(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)
Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
Affinity DataKd:  18nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
Affinity DataKd:  21nMAssay Description:Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM60665(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
Affinity DataKd:  21nMAssay Description:Binding constant for JAK1(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
Affinity DataKd:  21nMAssay Description:Binding affinity to JAK1 JH2 domain (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
Affinity DataKd:  21nMAssay Description:Binding affinity to JAK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM374723((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...)
Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2
Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1
Affinity DataKd:  37nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM374723((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...)
Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2
Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1
Affinity DataKd:  37nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  49nMAssay Description:Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
TOPIVERT PHARMA LIMITED

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  49nMAssay Description:Binding constant for JAK1(JH2domain-pseudokinase) kinase domainMore data for this Ligand-Target Pair
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