BDBM539139 US11254669, Example 1-2

SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1

InChI Key InChIKey=NFWPHVVWIQKSNN-QPLCGJKRSA-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 = 539139   

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

US Patent
LigandPNGBDBM539139(US11254669, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H28FN7O2/c1-3-15-11-24(36)19(28)12-18(15)16-4-5-17-20(10-16)32-33-25(17)26-30-21-13-22(29-14-23(21)31-26)27(37)35-8-6-34(2)7-9-35/h4-5,10-12,22,29,36H,3,6-9,13-14H2,1-2H3/b26-25-
Affinity DataKi:  0.0300nMAssay 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
LigandPNGBDBM539139(US11254669, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H28FN7O2/c1-3-15-11-24(36)19(28)12-18(15)16-4-5-17-20(10-16)32-33-25(17)26-30-21-13-22(29-14-23(21)31-26)27(37)35-8-6-34(2)7-9-35/h4-5,10-12,22,29,36H,3,6-9,13-14H2,1-2H3/b26-25-
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
LigandPNGBDBM539139(US11254669, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H28FN7O2/c1-3-15-11-24(36)19(28)12-18(15)16-4-5-17-20(10-16)32-33-25(17)26-30-21-13-22(29-14-23(21)31-26)27(37)35-8-6-34(2)7-9-35/h4-5,10-12,22,29,36H,3,6-9,13-14H2,1-2H3/b26-25-
Affinity DataKi:  0.0800nMAssay 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
LigandPNGBDBM539139(US11254669, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H28FN7O2/c1-3-15-11-24(36)19(28)12-18(15)16-4-5-17-20(10-16)32-33-25(17)26-30-21-13-22(29-14-23(21)31-26)27(37)35-8-6-34(2)7-9-35/h4-5,10-12,22,29,36H,3,6-9,13-14H2,1-2H3/b26-25-
Affinity DataKi:  0.160nMAssay 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