Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274503'   

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))	BDBM274503 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (isothiazo...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccns2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H23F2N9O2S/c31-20-3-1-18(2-4-20)27-28(40(17-34-27)21-9-13-39(14-10-21)30(43)23-8-12-35-44-23)22-5-6-26-36-25(16-41(26)38-22)37-29(42)19-7-11-33-24(32)15-19/h1-8,11-12,15-17,21H,9-10,13-14H2,(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.608	n/a	n/a	n/a	n/a	7.4	25
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 US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
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