Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform alpha' and Ligand = 'BDBM50420300'   

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 alpha (Homo sapiens (Human))	BDBM50420300 (CHEMBL2089035) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1 after 30 mins by liquid scintillation counter				Eur J Med Chem 56: 210-216 (2012) Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34
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