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 = 'BDBM50149822'   

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))	BDBM50149822 (2-Amino-4-[1-amino-2-(4-fluoro-phenyl)-ethyl]-6-(2...) Show SMILES NC(Cc1ccc(F)cc1)c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C20H17FN4O/c21-13-7-5-12(6-8-13)9-17(23)15-10-18(25-20(24)16(15)11-22)14-3-1-2-4-19(14)26/h1-8,10,17,26H,9,23H2,(H2,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50149822 (2-Amino-4-[1-amino-2-(4-fluoro-phenyl)-ethyl]-6-(2...) Show SMILES NC(Cc1ccc(F)cc1)c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C20H17FN4O/c21-13-7-5-12(6-8-13)9-17(23)15-10-18(25-20(24)16(15)11-22)14-3-1-2-4-19(14)26/h1-8,10,17,26H,9,23H2,(H2,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human I-kappa-B-kinase beta				Bioorg Med Chem Lett 14: 4013-7 (2004) Article DOI: 10.1016/j.bmcl.2004.05.040 BindingDB Entry DOI: 10.7270/Q2PC31VC
					More data for this Ligand-Target Pair