Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274513'   

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))	BDBM274513 (3,3,3-trifluoropropyl 4-(5-(2-(2- fluoroisonicotin...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)OCCC(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H25F5N8O3/c31-20-3-1-18(2-4-20)26-27(42(17-37-26)21-8-12-41(13-9-21)29(45)46-14-10-30(33,34)35)22-5-6-25-38-24(16-43(25)40-22)39-28(44)19-7-11-36-23(32)15-19/h1-7,11,15-17,21H,8-10,12-14H2,(H,39,44)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.142	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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