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SMILES: FC(F)c1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1

InChI Key: InChIKey=MOUGRXYMMZBZET-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 442840   
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 beta


(Homo sapiens (Human))
BDBM442840
PNG
(US10653688, Compound 26)
Show SMILES FC(F)c1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1
Show InChI InChI=1S/C27H24F2N4O/c28-26(29)24-12-23(14-31-15-24)19-4-5-21-16-32-25(13-22(21)11-19)33-27(34)20-3-1-2-18(10-20)17-6-8-30-9-7-17/h1-5,10-17,26,30H,6-9H2,(H,32,33,34)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10653688 (2020)


BindingDB Entry DOI: 10.7270/Q2Z322PW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM442840
PNG
(US10653688, Compound 26)
Show SMILES FC(F)c1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1
Show InChI InChI=1S/C27H24F2N4O/c28-26(29)24-12-23(14-31-15-24)19-4-5-21-16-32-25(13-22(21)11-19)33-27(34)20-3-1-2-18(10-20)17-6-8-30-9-7-17/h1-5,10-17,26,30H,6-9H2,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 29n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...


US Patent US10653688 (2020)


BindingDB Entry DOI: 10.7270/Q2Z322PW
More data for this
Ligand-Target Pair