Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274547'   

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))	BDBM274547 ((S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H24F4N8O2S/c28-17-3-1-16(2-4-17)24-25(38(14-33-24)18-7-9-37(10-8-18)12-21(40)27(29,30)31)19-5-6-23-34-22(13-39(23)36-19)35-26(41)20-11-32-15-42-20/h1-6,11,13-15,18,21,40H,7-10,12H2,(H,35,41)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.182	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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