Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform alpha' and Ligand = 'BDBM50346236'   

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 (Sus scrofa)	BDBM50346236 (9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...) Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1 Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1	PDB UniProtKB/SwissProt 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
Trinity College Curated by ChEMBL					Assay Description Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
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