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 = 'BDBM50336168'   

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))	BDBM50336168 (8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...) Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(O)c(Cl)c2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H27Cl2N7O3/c1-36-8-10-37(11-9-36)25-14-21(23(31)15-33-25)29(41)34-17-4-2-16-3-6-19-26(28(32)40)35-38(27(19)20(16)12-17)18-5-7-24(39)22(30)13-18/h2,4-5,7,12-15,39H,3,6,8-11H2,1H3,(H2,32,40)(H,34,41)	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	2.80	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