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SMILES: O=C(Nc1cccc(CN2CCOCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=FQEPLLAHZAYKQL-UHFFFAOYSA-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 = 50161351   
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))
BDBM50161351
PNG
(CHEMBL3785573)
Show SMILES O=C(Nc1cccc(CN2CCOCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C16H12N4/c17-16-19-13(10-6-2-1-3-7-10)15-14(20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50161351
PNG
(CHEMBL3785573)
Show SMILES O=C(Nc1cccc(CN2CCOCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C16H12N4/c17-16-19-13(10-6-2-1-3-7-10)15-14(20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair