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 = 'BDBM312875'   

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))	BDBM312875 (US9605005, Example 165 | ethyl 3-carbamoyl-1-[4-[2...) Show SMILES CCOC(=O)N1CCc2c(C1)c(nn2-c1cc(ccn1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r| Show InChI InChI=1S/C22H24N6O5/c1-3-33-21(31)27-10-6-16-15(13-27)18(19(23)29)25-28(16)17-12-14(5-9-24-17)4-7-22(32)8-11-26(2)20(22)30/h5,9,12,32H,3,6,8,10-11,13H2,1-2H3,(H2,23,29)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...				US Patent US9605005 (2017) BindingDB Entry DOI: 10.7270/Q2T43W61
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