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 = 'BDBM50336200'   

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))	BDBM50336200 (8-[(2-{4-[(1-{2-[Bis(2-hydroxyethyl)amino]-2-oxoet...) Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)N(CCO)CCO)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C38H40ClFN10O5/c39-32-20-42-33(47-11-9-46(10-12-47)21-24-19-43-49(22-24)23-34(53)48(13-15-51)14-16-52)18-31(32)38(55)44-27-5-1-25-2-8-29-35(37(41)54)45-50(36(29)30(25)17-27)28-6-3-26(40)4-7-28/h1,3-7,17-20,22,51-52H,2,8-16,21,23H2,(H2,41,54)(H,44,55)	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	10.2	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
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