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SMILES: COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC

InChI Key: InChIKey=OQUOJUDRDBAFJQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242620   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50242620 (CHEMBL4097381) Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of...				Bioorg Med Chem Lett 27: 2663-2667 (2017) Article DOI: 10.1016/j.bmcl.2017.04.080 BindingDB Entry DOI: 10.7270/Q28P62X6
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50242620 (CHEMBL4097381) Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scinti...				Bioorg Med Chem Lett 27: 2663-2667 (2017) Article DOI: 10.1016/j.bmcl.2017.04.080 BindingDB Entry DOI: 10.7270/Q28P62X6
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50242620 (CHEMBL4097381) Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK2/cyclin A using histone H1 as substrate after 30 mins in presence of ATP by scintillation counting method				Bioorg Med Chem Lett 27: 2663-2667 (2017) Article DOI: 10.1016/j.bmcl.2017.04.080 BindingDB Entry DOI: 10.7270/Q28P62X6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50242620 (CHEMBL4097381) Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK5/p25 expressed in Escherichia coli using histone H1 as substrate after 30 mins in presence of ATP by scintillatio...				Bioorg Med Chem Lett 27: 2663-2667 (2017) Article DOI: 10.1016/j.bmcl.2017.04.080 BindingDB Entry DOI: 10.7270/Q28P62X6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50242620 (CHEMBL4097381) Show SMILES COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC Show InChI InChI=1S/C14H12N6O2/c1-21-11-3-9-10(4-12(11)22-2)16-7-17-14(9)19-13-8(5-15)6-18-20-13/h3-4,6-7H,1-2H3,(H2,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Proudyogiki Vishwavidyalaya Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin T expressed in insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30 mins in presence of ATP...				Bioorg Med Chem Lett 27: 2663-2667 (2017) Article DOI: 10.1016/j.bmcl.2017.04.080 BindingDB Entry DOI: 10.7270/Q28P62X6
					More data for this Ligand-Target Pair