Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM473569'
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473569(US10844057, Example 12 | US10947229, Example 5)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.0250nMAssay 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
LigandPNGBDBM473569(US10844057, Example 12 | US10947229, Example 5)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC
Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.0250nMAssay 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