Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274453'   

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))	BDBM274453 (N-(6-(1-(1-((1,3-dimethyl-1H-pyrazol-4- yl)methyl)...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3c[nH]cn3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-36-28)23-8-11-40(12-9-23)15-22-14-33-17-35-22)24-5-6-27-37-26(16-42(27)39-24)38-30(43)20-7-10-34-25(32)13-20/h1-7,10,13-14,16-18,23H,8-9,11-12,15H2,(H,33,35)(H,38,43)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.101	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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