Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM278007'   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278007 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C28H30FN7O5/c29-23-14-36(26(39)16-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)35-9-10-40-22(13-35)15-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM278007 (2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...) Show SMILES OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C28H30FN7O5/c29-23-14-36(26(39)16-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)35-9-10-40-22(13-35)15-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41
					More data for this Ligand-Target Pair