Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274545'   

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))	BDBM274545 (N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1 Show InChI InChI=1S/C28H22FN9O3S/c29-18-3-1-17(2-4-18)25-26(37(15-31-25)19-7-10-36(11-8-19)28(40)21-9-12-41-35-21)20-5-6-24-32-23(14-38(24)34-20)33-27(39)22-13-30-16-42-22/h1-6,9,12-16,19H,7-8,10-11H2,(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.372	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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