Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302812'   

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))	BDBM302812 (N5-(3-(tert-Butyl)-4- cyanophenyl)-2-(3- chlorophe...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
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