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BDBM50208630 CHEMBL3751934

SMILES: COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N

InChI Key: InChIKey=NRLRSCFHUUGFDR-MDWZMJQESA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50208630   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50208630
PNG
(CHEMBL3751934)
Show SMILES COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-14-15(11-20-17(14)16)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50208630
PNG
(CHEMBL3751934)
Show SMILES COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-14-15(11-20-17(14)16)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50208630
PNG
(CHEMBL3751934)
Show SMILES COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-14-15(11-20-17(14)16)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair