Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM472918'
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM472918(US10836763, Example 4 | US10844057, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/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 JAK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM472918(US10836763, Example 4 | US10844057, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/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