Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274471'   

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))	BDBM274471 (N-(6-(1-(1-(2-aminoacetyl)piperidin-4- yl)-4-(4-fl...) Show SMILES NCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25F2N9O2/c29-19-3-1-17(2-4-19)26-27(38(16-33-26)20-8-11-37(12-9-20)25(40)14-31)21-5-6-24-34-23(15-39(24)36-21)35-28(41)18-7-10-32-22(30)13-18/h1-7,10,13,15-16,20H,8-9,11-12,14,31H2,(H,35,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0850	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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