BDBM473566 US10844057, Example 9::US10947229, Example 2

SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC

InChI Key InChIKey=XRFTXXSSGOVYQB-AYJAEQQWSA-N

Data  7 KI  1 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 473566   

TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0200nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0200nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataKi:  0.631nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473566(US10844057, Example 9 | US10947229, Example 2)
Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1
Affinity DataIC50: 2nMAssay Description:A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid