Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.3 BDBM50383311

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))	BDBM50383311 (CHEMBL2029619) Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 protein kinase CLK1 (Mus musculus)	BDBM50383311 (CHEMBL2029619) Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50383311 (CHEMBL2029619) Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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