Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.3 BDBM50424662

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (RAT)	BDBM50424662 (CHEMBL2313926) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21 Show InChI InChI=1S/C18H12N4OS/c1-23-13-6-7-14-15(8-13)24-17-16(14)20-10-21-18(17)22-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50424662 (CHEMBL2313926) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21 Show InChI InChI=1S/C18H12N4OS/c1-23-13-6-7-14-15(8-13)24-17-16(14)20-10-21-18(17)22-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50424662 (CHEMBL2313926) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21 Show InChI InChI=1S/C18H12N4OS/c1-23-13-6-7-14-15(8-13)24-17-16(14)20-10-21-18(17)22-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21,22)	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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 after 30 mins by scintillation counting				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair