Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM255210'   

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))	BDBM255210 (US9475817, 169) Show SMILES Cn1nc(c(c1C1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H28FN9O2/c1-39-30(21-10-15-40(16-11-21)18-24-12-17-43-38-24)28(29(37-39)20-2-4-23(32)5-3-20)25-6-7-27-34-26(19-41(27)36-25)35-31(42)22-8-13-33-14-9-22/h2-9,12-14,17,19,21H,10-11,15-16,18H2,1H3,(H,35,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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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