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 = 'BDBM28544'   

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))	BDBM28544 (N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...) Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28544 (N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...) Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	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))	BDBM28544 (N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...) Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	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