Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM29418'   

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 beta (Homo sapiens (Human))	BDBM29418 (7-alkoxyisoquinoline, 28) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H25N3O5S2/c1-2-31(26,27)25-11-8-19(9-12-25)30-22-14-18-15-24-10-7-17(18)13-21(22)16-3-5-20(6-4-16)32(23,28)29/h3-7,10,13-15,19H,2,8-9,11-12H2,1H3,(H2,23,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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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