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 = 'BDBM50294687'   

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))	BDBM50294687 (3-methoxy-N-(3-(1-methyl-4-(methylamino)-1,6-dihyd...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)c1 Show InChI InChI=1S/C21H24N6O2/c1-22-21-18-19(27(2)12-24-18)15-10-16(25-20(15)26-21)14-6-4-5-13(9-14)11-23-17(28)7-8-29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,28)(H2,22,25,26)	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	12	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))	BDBM50294687 (3-methoxy-N-(3-(1-methyl-4-(methylamino)-1,6-dihyd...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)c1 Show InChI InChI=1S/C21H24N6O2/c1-22-21-18-19(27(2)12-24-18)15-10-16(25-20(15)26-21)14-6-4-5-13(9-14)11-23-17(28)7-8-29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,28)(H2,22,25,26)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50294687 (3-methoxy-N-(3-(1-methyl-4-(methylamino)-1,6-dihyd...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)c1 Show InChI InChI=1S/C21H24N6O2/c1-22-21-18-19(27(2)12-24-18)15-10-16(25-20(15)26-21)14-6-4-5-13(9-14)11-23-17(28)7-8-29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,28)(H2,22,25,26)	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	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IKK2-catalyzed phosphorylation of GST-tagged IkappaBalpha fusion protein by fluorescence polarization assay				Bioorg Med Chem Lett 19: 2646-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.159 BindingDB Entry DOI: 10.7270/Q2QF8SX8
					More data for this Ligand-Target Pair