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 = 'BDBM312839'   

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))	BDBM312839 (4-(ethylamino)-1-[3-[2-[(3R)- 3-hydroxy-1-methyl-2...) Show SMILES CCNc1nccc2n(nc(C(N)=O)c12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C22H22N6O3/c1-3-24-20-17-16(8-11-25-20)28(26-18(17)19(23)29)15-6-4-5-14(13-15)7-9-22(31)10-12-27(2)21(22)30/h4-6,8,11,13,31H,3,10,12H2,1-2H3,(H2,23,29)(H,24,25)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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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