Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon' and Ligand = 'BDBM274501'   

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 epsilon (Homo sapiens (Human))	BDBM274501 (N-(6-(1-(1-(1- cyanocyclopropanecarbonyl)piperidin...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2(CC2)C#N)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C31H25F2N9O2/c32-21-3-1-19(2-4-21)27-28(41(18-36-27)22-8-13-40(14-9-22)30(44)31(17-34)10-11-31)23-5-6-26-37-25(16-42(26)39-23)38-29(43)20-7-12-35-24(33)15-20/h1-7,12,15-16,18,22H,8-11,13-14H2,(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.676	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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