BDBM50392604 CHEMBL2153535

SMILES: COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1

InChI Key: InChIKey=XRELQNONUZYLRQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50392604   

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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50392604 (CHEMBL2153535) Show SMILES COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1 Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-10(7-12(8-11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-5-18-14/h3-9H,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50392604 (CHEMBL2153535) Show SMILES COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1 Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-10(7-12(8-11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-5-18-14/h3-9H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50392604 (CHEMBL2153535) Show SMILES COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1 Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-10(7-12(8-11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-5-18-14/h3-9H,1-2H3,(H,19,20,21)	PDB UniProtKB/SwissProt 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair