Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302777'   

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))	BDBM302777 (US9598423, Example A5) Show SMILES NC(=O)c1c2CN(CC(CF)n2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O2/c1-26-15-5-7-16(8-6-15)27-22(32)29-11-17(10-24)30-18(12-29)19(21(25)31)20(28-30)13-3-2-4-14(23)9-13/h2-9,17H,10-12H2,(H2,25,31)(H,27,32)	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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