Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274439'   

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))	BDBM274439 ((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.225	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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