Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 1' and Ligand = 'BDBM67412'   

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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM67412 (5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-...) Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O6S/c1-26-15-7-6-11(8-16(15)27-2)14-10-17(18)20(19-14)28(24,25)13-5-3-4-12(9-13)21(22)23/h3-10H,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23J3BDQ
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