BDBM539141 US11254669, Example 1-37

SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key InChIKey=HUDPIPKHFDNHSI-HDHBGBBSSA-N

Data  4 KI

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 4 hits for monomerid = 539141   

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

US Patent
LigandPNGBDBM539141(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H38FN7O2/c1-6-19-15-28(41)23(33)16-22(19)20-8-9-21-24(14-20)36-37-29(21)30-34-25-17-27(38(7-2)18-26(25)35-30)31(42)39-10-12-40(13-11-39)32(3,4)5/h8-9,14-16,27,41H,6-7,10-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
Affinity DataKi:  0.0400nMAssay 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
LigandPNGBDBM539141(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H38FN7O2/c1-6-19-15-28(41)23(33)16-22(19)20-8-9-21-24(14-20)36-37-29(21)30-34-25-17-27(38(7-2)18-26(25)35-30)31(42)39-10-12-40(13-11-39)32(3,4)5/h8-9,14-16,27,41H,6-7,10-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
Affinity DataKi:  0.100nMAssay 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
LigandPNGBDBM539141(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H38FN7O2/c1-6-19-15-28(41)23(33)16-22(19)20-8-9-21-24(14-20)36-37-29(21)30-34-25-17-27(38(7-2)18-26(25)35-30)31(42)39-10-12-40(13-11-39)32(3,4)5/h8-9,14-16,27,41H,6-7,10-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
Affinity DataKi:  0.5nMAssay 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
LigandPNGBDBM539141(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H38FN7O2/c1-6-19-15-28(41)23(33)16-22(19)20-8-9-21-24(14-20)36-37-29(21)30-34-25-17-27(38(7-2)18-26(25)35-30)31(42)39-10-12-40(13-11-39)32(3,4)5/h8-9,14-16,27,41H,6-7,10-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
Affinity DataKi:  1.26nMAssay 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