Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302811'   

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))	BDBM302811 (2-(3-Chlorophenyl)-N5- (4-cyano-3- cyclopropylphen...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C1CC1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O2/c25-17-3-1-2-15(10-17)22-21(23(27)32)20-13-30(8-9-31(20)29-22)24(33)28-18-7-6-16(12-26)19(11-18)14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9,13H2,(H2,27,32)(H,28,33)	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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