Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit alpha' and Ligand = 'BDBM29408'   

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 alpha (Homo sapiens (Human))	BDBM29408 (7-alkoxyisoquinoline, 18) Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				J Med Chem 52: 3098-102 (2009) Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7
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