Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302457'   

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))	BDBM302457 (2-(3-Fluorophenyl)-N5- ((2R,5S)-octahydro-2,5- met...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC1CC(C2)C3 |TLB:25:24:26.27:29,THB:25:26:30.24.23:29,27:28:23:26.25,27:26:23:30.28.29| Show InChI InChI=1S/C23H26FN5O2/c24-17-3-1-2-15(9-17)20-19(21(25)30)18-12-28(4-5-29(18)27-20)22(31)26-23-10-13-6-14(11-23)8-16(23)7-13/h1-3,9,13-14,16H,4-8,10-12H2,(H2,25,30)(H,26,31)	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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