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 = 'BDBM50507365'   

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))	BDBM50507365 (CHEMBL4522601) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCCN1CCCCCC1)-c1ccccc1 Show InChI InChI=1S/C29H38N4O3S/c30-29(34)26-20-24(22-9-4-3-5-10-22)19-25-27(21-31-28(25)26)23-11-16-33(17-12-23)37(35,36)18-8-15-32-13-6-1-2-7-14-32/h3-5,9-10,19-21,23,31H,1-2,6-8,11-18H2,(H2,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
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