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SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O

InChI Key: InChIKey=JOXKWCMEFMBBEG-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 298376   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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US Patent
n/an/a 139n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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Oxular Acquisitions Limited

US Patent


Assay Description
GSK 3α Method 2: The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by d...


US Patent US10941115 (2021)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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n/an/a 139n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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n/an/a 139n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair