Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.3 BDBM50383309

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))	BDBM50383309 (CHEMBL2029616) Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3	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
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting				J Med Chem 55: 2811-9 (2012) Article DOI: 10.1021/jm201727w BindingDB Entry DOI: 10.7270/Q29W0GHW
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50383309 (CHEMBL2029616) Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3	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
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate				J Med Chem 55: 2811-9 (2012) Article DOI: 10.1021/jm201727w BindingDB Entry DOI: 10.7270/Q29W0GHW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50383309 (CHEMBL2029616) Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				J Med Chem 55: 2811-9 (2012) Article DOI: 10.1021/jm201727w BindingDB Entry DOI: 10.7270/Q29W0GHW
					More data for this Ligand-Target Pair