Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274541'   

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))	BDBM274541 (N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...) Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H29FN8O2/c33-22-7-5-21(6-8-22)30-31(40(20-35-30)23-12-15-39(16-13-23)17-18-42)27-9-10-29-36-28(19-41(29)38-27)37-32(43)25-11-14-34-26-4-2-1-3-24(25)26/h1-11,14,19-20,23,42H,12-13,15-18H2,(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.564	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
					More data for this Ligand-Target Pair