Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.3 BDBM50347751

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
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50347751 (CHEMBL1803075) Show SMILES CCCNC1=NC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)N1C |w:7.7,t:4| Show InChI InChI=1S/C17H23N3O4/c1-6-7-18-17-19-12(16(21)20(17)2)8-11-9-13(22-3)15(24-5)14(10-11)23-4/h8-10H,6-7H2,1-5H3,(H,18,19)	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347751 (CHEMBL1803075) Show SMILES CCCNC1=NC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)N1C |w:7.7,t:4| Show InChI InChI=1S/C17H23N3O4/c1-6-7-18-17-19-12(16(21)20(17)2)8-11-9-13(22-3)15(24-5)14(10-11)23-4/h8-10H,6-7H2,1-5H3,(H,18,19)	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
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50347751 (CHEMBL1803075) Show SMILES CCCNC1=NC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)N1C |w:7.7,t:4| Show InChI InChI=1S/C17H23N3O4/c1-6-7-18-17-19-12(16(21)20(17)2)8-11-9-13(22-3)15(24-5)14(10-11)23-4/h8-10H,6-7H2,1-5H3,(H,18,19)	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 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