Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM29406'   

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))	BDBM29406 (7-alkoxyisoquinoline, 16) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(H2,21,24,25)	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29406 (7-alkoxyisoquinoline, 16) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(H2,21,24,25)	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	1.26E+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
					More data for this Ligand-Target Pair