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SMILES: F[C@H]1CNCCC1Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1

InChI Key: InChIKey=MUBJROZPDFWDIB-ZENAZSQFSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 442933   
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))
BDBM442933
PNG
(US10653688, Compound 111)
Show SMILES F[C@H]1CNCCC1Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1 |r|
Show InChI InChI=1S/C22H23FN6O/c23-17-10-24-6-5-18(17)27-21-12-25-11-19(28-21)14-3-4-15-9-26-20(8-16(15)7-14)29-22(30)13-1-2-13/h3-4,7-9,11-13,17-18,24H,1-2,5-6,10H2,(H,27,28)(H,26,29,30)/t17-,18?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 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)

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


(Homo sapiens (Human))
BDBM442933
PNG
(US10653688, Compound 111)
Show SMILES F[C@H]1CNCCC1Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1 |r|
Show InChI InChI=1S/C22H23FN6O/c23-17-10-24-6-5-18(17)27-21-12-25-11-19(28-21)14-3-4-15-9-26-20(8-16(15)7-14)29-22(30)13-1-2-13/h3-4,7-9,11-13,17-18,24H,1-2,5-6,10H2,(H,27,28)(H,26,29,30)/t17-,18?/m0/s1
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 1n/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)

More data for this
Ligand-Target Pair