Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 289.2 BDBM50347768

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)	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	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	1.30E+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 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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt 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 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))	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	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	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 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)	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347768 (CHEMBL1802851) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17| Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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