Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM255199'   

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))	BDBM255199 (US9475817, 158) Show SMILES Cn1nc(c(c1C1CCN(C[C@@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
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