Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM50454206'   

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
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50454206 (CHEMBL4213254) Show SMILES COc1ccc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)[nH]c2c1 Show InChI InChI=1S/C23H23N9O2/c1-33-16-4-5-17-18(11-16)28-19(27-17)13-25-21-20-22(30-23(29-21)31-7-9-34-10-8-31)32(14-26-20)15-3-2-6-24-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,28)(H,25,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	975	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...				Bioorg Med Chem 26: 590-602 (2018) Article DOI: 10.1016/j.bmc.2017.12.020 BindingDB Entry DOI: 10.7270/Q2RR21TZ
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