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SMILES: CN1Cc2c(cnn2C)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc(C1)c4)c3c2

InChI Key: InChIKey=MURDNBFVOLGBQI-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 = 459191   
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))
BDBM459191
PNG
(US10759799, Compound 29)
Show SMILES CN1Cc2c(cnn2C)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc(C1)c4)c3c2
Show InChI InChI=1S/C27H23N7/c1-33-14-16-5-3-6-17(11-16)19-7-4-8-23-25(19)30-27(29-23)26-20-12-18(9-10-22(20)31-32-26)21-13-28-34(2)24(21)15-33/h3-13H,14-15H2,1-2H3,(H,29,30)(H,31,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15n/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 US10759799 (2020)

More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM459191
PNG
(US10759799, Compound 29)
Show SMILES CN1Cc2c(cnn2C)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc(C1)c4)c3c2
Show InChI InChI=1S/C27H23N7/c1-33-14-16-5-3-6-17(11-16)19-7-4-8-23-25(19)30-27(29-23)26-20-12-18(9-10-22(20)31-32-26)21-13-28-34(2)24(21)15-33/h3-13H,14-15H2,1-2H3,(H,29,30)(H,31,32)
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 412n/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 US10759799 (2020)

More data for this
Ligand-Target Pair