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 = 'BDBM50114779'   

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))	BDBM50114779 (CHEMBL3609667) Show SMILES [H][C@@]12C[C@H](O)CCN1C(=O)c1cccc(NC(=O)Nc3cc(OC)c4ccccc4n3)c21 |r| Show InChI InChI=1S/C23H22N4O4/c1-31-19-12-20(24-16-7-3-2-5-14(16)19)26-23(30)25-17-8-4-6-15-21(17)18-11-13(28)9-10-27(18)22(15)29/h2-8,12-13,18,28H,9-11H2,1H3,(H2,24,25,26,30)/t13-,18+/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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