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SMILES: O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1

InChI Key: InChIKey=UCULEGMKOWXIHT-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 4 hits for monomerid = 442813   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM442813
PNG
(US10653688, Compound 60 | US10653688, Compound 7)
Show SMILES O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1
Show InChI InChI=1S/C20H20N4O/c25-20(14-24-8-1-2-9-24)23-19-11-18-10-15(5-6-17(18)13-22-19)16-4-3-7-21-12-16/h3-7,10-13H,1-2,8-9,14H2,(H,22,23,25)
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PC cid
PC sid
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n/an/an/an/a 10n/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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM442813
PNG
(US10653688, Compound 60 | US10653688, Compound 7)
Show SMILES O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1
Show InChI InChI=1S/C20H20N4O/c25-20(14-24-8-1-2-9-24)23-19-11-18-10-15(5-6-17(18)13-22-19)16-4-3-7-21-12-16/h3-7,10-13H,1-2,8-9,14H2,(H,22,23,25)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM442813
PNG
(US10653688, Compound 60 | US10653688, Compound 7)
Show SMILES O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1
Show InChI InChI=1S/C20H20N4O/c25-20(14-24-8-1-2-9-24)23-19-11-18-10-15(5-6-17(18)13-22-19)16-4-3-7-21-12-16/h3-7,10-13H,1-2,8-9,14H2,(H,22,23,25)
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 404n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM442813
PNG
(US10653688, Compound 60 | US10653688, Compound 7)
Show SMILES O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1
Show InChI InChI=1S/C20H20N4O/c25-20(14-24-8-1-2-9-24)23-19-11-18-10-15(5-6-17(18)13-22-19)16-4-3-7-21-12-16/h3-7,10-13H,1-2,8-9,14H2,(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 247n/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