Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.2 BDBM50347817

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))	BDBM50347817 (CHEMBL1802392) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cccc(Br)c12 Show InChI InChI=1S/C19H12BrF3N4/c20-14-2-1-3-15-16(14)13(9-25-15)17-12(8-26-18(24)27-17)10-4-6-11(7-5-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
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)	BDBM50347817 (CHEMBL1802392) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cccc(Br)c12 Show InChI InChI=1S/C19H12BrF3N4/c20-14-2-1-3-15-16(14)13(9-25-15)17-12(8-26-18(24)27-17)10-4-6-11(7-5-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	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))	BDBM50347817 (CHEMBL1802392) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cccc(Br)c12 Show InChI InChI=1S/C19H12BrF3N4/c20-14-2-1-3-15-16(14)13(9-25-15)17-12(8-26-18(24)27-17)10-4-6-11(7-5-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	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	4.70E+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