Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274486'   

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 delta (Homo sapiens (Human))	BDBM274486 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...) Show SMILES CC(C)(O)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2N8O3/c1-30(2,43)29(42)38-13-10-21(11-14-38)39-17-34-26(18-3-5-20(31)6-4-18)27(39)22-7-8-25-35-24(16-40(25)37-22)36-28(41)19-9-12-33-23(32)15-19/h3-9,12,15-17,21,43H,10-11,13-14H2,1-2H3,(H,36,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.178	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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