Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274521'   

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))	BDBM274521 ((S)-2,6-difluoro-N-(6-(4-(4- fluorophenyl)-1-(1-(3...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H24F6N8O2/c30-18-3-1-16(2-4-18)26-27(42(15-36-26)19-7-9-41(10-8-19)13-21(44)29(33,34)35)20-5-6-25-38-24(14-43(25)40-20)39-28(45)17-11-22(31)37-23(32)12-17/h1-6,11-12,14-15,19,21,44H,7-10,13H2,(H,39,45)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.796	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
					More data for this Ligand-Target Pair