Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274532'   

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))	BDBM274532 (N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3-trifluoropro...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CC1)C(=O)CC(F)(F)F)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C33H27F4N9O2S/c1-19-30(49-32(40-19)21-3-2-12-38-16-21)31(48)42-25-17-46-26(41-25)9-8-24(43-46)29-28(20-4-6-22(34)7-5-20)39-18-45(29)23-10-13-44(14-11-23)27(47)15-33(35,36)37/h2-9,12,16-18,23H,10-11,13-15H2,1H3,(H,42,48)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.484	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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