Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302776'   

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))	BDBM302776 (2-(3-Chlorophenyl)-N5- (3,5-dichlorophenyl)-7- (hy...) Show SMILES NC(=O)c1c2CN(CC(CO)n2nc1-c1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C21H18Cl3N5O3/c22-12-3-1-2-11(4-12)19-18(20(25)31)17-9-28(8-16(10-30)29(17)27-19)21(32)26-15-6-13(23)5-14(24)7-15/h1-7,16,30H,8-10H2,(H2,25,31)(H,26,32)	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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