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 = 'BDBM50302177'   

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))	BDBM50302177 (3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthie...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCN(CC1)C(N)=O Show InChI InChI=1S/C16H22N6O2S/c1-2-3-9-8-10(21-4-6-22(7-5-21)16(19)24)20-15-11(9)12(17)13(25-15)14(18)23/h8H,2-7,17H2,1H3,(H2,18,23)(H2,19,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
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