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 = 'BDBM50336199'   

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))	BDBM50336199 (8-[(5-Chloro-2-{4-[(1-{2-[(2-hydroxyethyl)amino]-2...) Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)NCCO)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C36H36ClFN10O4/c37-30-18-41-31(46-12-10-45(11-13-46)19-22-17-42-47(20-22)21-32(50)40-9-14-49)16-29(30)36(52)43-25-5-1-23-2-8-27-33(35(39)51)44-48(34(27)28(23)15-25)26-6-3-24(38)4-7-26/h1,3-7,15-18,20,49H,2,8-14,19,21H2,(H2,39,51)(H,40,50)(H,43,52)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair