Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.3 BDBM50347775

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)	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of 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)	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+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))	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	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	6.50E+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 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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+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
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	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
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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50347775 (CHEMBL1802857) Show SMILES CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8| Show InChI InChI=1S/C16H15N3O6/c1-3-23-15(22)13(20)18-16-17-10(14(21)19(16)2)6-9-4-5-11-12(7-9)25-8-24-11/h4-7H,3,8H2,1-2H3,(H,17,18,20)/b10-6-	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
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