Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM50114699'   

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 1A (Homo sapiens (Human))	BDBM50114699 (CHEMBL3609665) Show SMILES [H][C@@]12C[C@@H](CCN1C(=O)c1cccc(NC(=O)Nc3cc(OC)c4ccccc4n3)c21)OC |r| Show InChI InChI=1S/C24H24N4O4/c1-31-14-10-11-28-19(12-14)22-16(23(28)29)7-5-9-18(22)26-24(30)27-21-13-20(32-2)15-6-3-4-8-17(15)25-21/h3-9,13-14,19H,10-12H2,1-2H3,(H2,25,26,27,30)/t14-,19+/m1/s1	PDB MMDB Reactome pathway 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
CNRS UMR 7311 Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli				Eur J Med Chem 101: 274-87 (2015) Article DOI: 10.1016/j.ejmech.2015.06.046 BindingDB Entry DOI: 10.7270/Q24T6M53
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