BDBM473568 US10844057, Example 11::US10947229, Example 4

SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C

InChI Key InChIKey=IUIBFBKDKRQOKO-WPXPYGNWSA-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 = 473568   

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

US Patent
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.0160nMAssay 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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.0160nMAssay 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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/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 JAK1(Homo sapiens (Human))
Theravance Biopharma R&D IP, LLC

US Patent
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.126nMAssay 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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.126nMAssay 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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1
Affinity DataKi:  0.794nMAssay 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
LigandPNGBDBM473568(US10844057, Example 11 | US10947229, Example 4)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/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