Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50418167'   

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))	BDBM50418167 (CHEMBL1761514) Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)	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	25	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))	BDBM50418167 (CHEMBL1761514) Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)	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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418167 (CHEMBL1761514) Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of IKKbeta in human CD14-positive monocytes assessed as reduction in LPS-stimulated TNFalpha secretion preincubated for 30 mins followed b...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair