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 = 'BDBM50336192'   

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))	BDBM50336192 (CHEMBL1669598 | Ethyl 3-[4-({4-[4-({[3-(aminocarbo...) Show SMILES CCOC(=O)CCn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H37ClFN9O4/c1-2-52-33(49)11-12-47-22-23(19-42-47)21-45-13-15-46(16-14-45)32-18-30(31(38)20-41-32)37(51)43-26-7-3-24-4-10-28-34(36(40)50)44-48(35(28)29(24)17-26)27-8-5-25(39)6-9-27/h3,5-9,17-20,22H,2,4,10-16,21H2,1H3,(H2,40,50)(H,43,51)	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	4.70	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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