Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM255217'   

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))	BDBM255217 (US9475817, 176) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C35H31FN10O2S/c1-21-33(49-35(38-21)24-4-3-14-37-18-24)34(47)40-28-20-46-29(39-28)10-9-27(41-46)30-31(22-5-7-25(36)8-6-22)42-44(2)32(30)23-11-15-45(16-12-23)19-26-13-17-48-43-26/h3-10,13-14,17-18,20,23H,11-12,15-16,19H2,1-2H3,(H,40,47)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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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