Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit alpha' and Ligand = 'BDBM27478'   

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 alpha (Homo sapiens (Human))	BDBM27478 (2-amino-5-(4-methanesulfonylphenyl)-3-[4-(pyrrolid...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C24H25N3O5S2/c1-33(29,30)19-8-4-16(5-9-19)18-14-21(23(25)22(15-18)24(26)28)17-6-10-20(11-7-17)34(31,32)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,25H2,1H3,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
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