Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274454'   

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))	BDBM274454 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C32H33F2N9O2/c33-24-3-1-22(2-4-24)30-31(42(21-36-30)25-8-11-40(12-9-25)13-14-41-15-17-45-18-16-41)26-5-6-29-37-28(20-43(29)39-26)38-32(44)23-7-10-35-27(34)19-23/h1-7,10,19-21,25H,8-9,11-18H2,(H,38,44)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.183	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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