Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.3 BDBM50383308

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))	BDBM50383308 (CHEMBL523951) Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1 Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2	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	5.50E+3	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)	BDBM50383308 (CHEMBL523951) Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1 Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2	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)	BDBM50383308 (CHEMBL523951) Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1 Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2	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