BDBM256611 US10435361, Example 85(m)::US9481648, 85(m)::US9790174, Example 85(m)

SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1

InChI Key InChIKey=GUULINOWBZUTJL-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 256611   

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 72nMAssay Description:The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.19E+3nMAssay Description:The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.03E+4nMAssay Description:Method 2: This method follows the same steps as Method 1 above, but utilises a shorter period of mixing of the test compound (105 minutes instead of ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.03E+4nMAssay Description:The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.03E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.19E+3nMAssay Description:The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 72nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 1.19E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Respivert Limited

US Patent
LigandPNGBDBM256611(US10435361, Example 85(m) | US9481648, 85(m) | US9...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-44(4,5)27-51/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
Affinity DataIC50: 72nMAssay Description:The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid