Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274469'   

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))	BDBM274469 ((S)-2-fluoro-N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H25F5N8O2/c30-19-3-1-17(2-4-19)26-27(41(16-36-26)20-8-11-40(12-9-20)14-22(43)29(32,33)34)21-5-6-25-37-24(15-42(25)39-21)38-28(44)18-7-10-35-23(31)13-18/h1-7,10,13,15-16,20,22,43H,8-9,11-12,14H2,(H,38,44)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.305	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
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