Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274434'   

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))	BDBM274434 (N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol-3- ylmethy...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1 Show InChI InChI=1S/C30H26FN9O2/c31-22-3-1-20(2-4-22)28-29(39(19-33-28)24-9-14-38(15-10-24)17-23-11-16-42-37-23)25-5-6-27-34-26(18-40(27)36-25)35-30(41)21-7-12-32-13-8-21/h1-8,11-13,16,18-19,24H,9-10,14-15,17H2,(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.298	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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