Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.3 BDBM50449204Purchase

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))	BDBM50449204 (CHEMBL1719330) Show SMILES COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC Show InChI InChI=1S/C17H14F3N3O3/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-10-3-5-11(6-4-10)26-17(18,19)20/h3-9H,1-2H3,(H,21,22,23)	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))	BDBM50449204 (CHEMBL1719330) Show SMILES COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC Show InChI InChI=1S/C17H14F3N3O3/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-10-3-5-11(6-4-10)26-17(18,19)20/h3-9H,1-2H3,(H,21,22,23)	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)	BDBM50449204 (CHEMBL1719330) Show SMILES COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC Show InChI InChI=1S/C17H14F3N3O3/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-10-3-5-11(6-4-10)26-17(18,19)20/h3-9H,1-2H3,(H,21,22,23)	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