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BDBM337692 US9751837, Example 17(x)

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

InChI Key: InChIKey=ICCIEUXPWPZQGL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 337692   
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


(Homo sapiens (Human))
BDBM337692
PNG
(US9751837, Example 17(x))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)=O
Show InChI InChI=1S/C43H50N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,49H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H,50,51)(H2,47,48,53)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 412n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




US Patent US9751837 (2017)

More data for this
Ligand-Target Pair