Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM302810'   

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))	BDBM302810 (2-(3-Chlorophenyl)-N5- (4-cyano-3- methoxyphenyl)-...) Show SMILES COc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H19ClN6O3/c1-32-18-10-16(6-5-14(18)11-24)26-22(31)28-7-8-29-17(12-28)19(21(25)30)20(27-29)13-3-2-4-15(23)9-13/h2-6,9-10H,7-8,12H2,1H3,(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
					More data for this Ligand-Target Pair