Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.2 BDBM50443937

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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50443937 (CHEMBL3091819) Show SMILES COc1ccc(cc1)-c1cnc2c(c1)oc1c(N)ncnc21 Show InChI InChI=1S/C16H12N4O2/c1-21-11-4-2-9(3-5-11)10-6-12-13(18-7-10)14-15(22-12)16(17)20-8-19-14/h2-8H,1H3,(H2,17,19,20)	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
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50443937 (CHEMBL3091819) Show SMILES COc1ccc(cc1)-c1cnc2c(c1)oc1c(N)ncnc21 Show InChI InChI=1S/C16H12N4O2/c1-21-11-4-2-9(3-5-11)10-6-12-13(18-7-10)14-15(22-12)16(17)20-8-19-14/h2-8H,1H3,(H2,17,19,20)	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
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50443937 (CHEMBL3091819) Show SMILES COc1ccc(cc1)-c1cnc2c(c1)oc1c(N)ncnc21 Show InChI InChI=1S/C16H12N4O2/c1-21-11-4-2-9(3-5-11)10-6-12-13(18-7-10)14-15(22-12)16(17)20-8-19-14/h2-8H,1H3,(H2,17,19,20)	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
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair