Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.3 BDBM50449207Purchase

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 protein kinase CLK1 (Homo sapiens (Human))	BDBM50449207 (CHEMBL3127768) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Bioorg Med Chem 22: 1909-15 (2014) Article DOI: 10.1016/j.bmc.2014.01.044 BindingDB Entry DOI: 10.7270/Q26D5VHK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50449207 (CHEMBL3127768) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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 human recombinant CDK5/p25 using histone H1 as substrate by scintillation counting in presence of [gamma-33P]ATP				Bioorg Med Chem 22: 1909-15 (2014) Article DOI: 10.1016/j.bmc.2014.01.044 BindingDB Entry DOI: 10.7270/Q26D5VHK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50449207 (CHEMBL3127768) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate by scintillation counting in presence ...				Bioorg Med Chem 22: 1909-15 (2014) Article DOI: 10.1016/j.bmc.2014.01.044 BindingDB Entry DOI: 10.7270/Q26D5VHK
					More data for this Ligand-Target Pair