Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 259.2 BDBM50347754

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 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 (Mus musculus)	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50347754 (CHEMBL1802841) Show SMILES CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2| Show InChI InChI=1S/C13H13N3O3/c1-14-13-15-9(12(17)16(13)2)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,7H2,1-2H3,(H,14,15)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair