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BDBM50140923 CHEMBL3753955

SMILES: N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12

InChI Key: InChIKey=YMYYQRZCCKBFBE-MDWZMJQESA-N

Data: 5 IC50

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 5 hits for monomerid = 50140923   
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
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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MCE
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PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...


Bioorg Med Chem 24: 721-34 (2016)


BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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CHEMBL
MCE
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n/an/a 830n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...


Bioorg Med Chem 24: 721-34 (2016)


BindingDB Entry DOI: 10.7270/Q29025NR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


J Med Chem 61: 9791-9810 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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CHEMBL
MCE
PC cid
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Article
PubMed
n/an/a 5.50E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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CHEMBL
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PC cid
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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