Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.0 BDBM50347794

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 protein kinase CLK1 (Homo sapiens (Human))	BDBM50347794 (CHEMBL1802965) Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50347794 (CHEMBL1802965) Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50347794 (CHEMBL1802965) Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair