Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274544'   

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))	BDBM274544 (N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoroprop...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1 Show InChI InChI=1S/C27H24F4N8OS/c28-18-3-1-17(2-4-18)24-25(38(15-33-24)19-7-10-37(11-8-19)12-9-27(29,30)31)20-5-6-23-34-22(14-39(23)36-20)35-26(40)21-13-32-16-41-21/h1-6,13-16,19H,7-12H2,(H,35,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.159	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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