Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274499'   

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))	BDBM274499 (N-(6-(1-(1- (cyclobutanecarbonyl)piperidin-4-yl)-4...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C31H28F2N8O2/c32-22-6-4-19(5-7-22)28-29(40(18-35-28)23-11-14-39(15-12-23)31(43)20-2-1-3-20)24-8-9-27-36-26(17-41(27)38-24)37-30(42)21-10-13-34-25(33)16-21/h4-10,13,16-18,20,23H,1-3,11-12,14-15H2,(H,37,42)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.193	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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