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 = 'BDBM50336193'   

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))	BDBM50336193 (8-{[2-(4-{[1-(2-Amino-2-oxoethyl)-1H-pyrazol-4-yl]...) Show SMILES NC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C34H32ClFN10O3/c35-28-16-39-30(44-11-9-43(10-12-44)17-20-15-40-45(18-20)19-29(37)47)14-27(28)34(49)41-23-5-1-21-2-8-25-31(33(38)48)42-46(32(25)26(21)13-23)24-6-3-22(36)4-7-24/h1,3-7,13-16,18H,2,8-12,17,19H2,(H2,37,47)(H2,38,48)(H,41,49)	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	0.900	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