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 = 'BDBM54214'   

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))	BDBM54214 (2-[3-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]malon...) Show SMILES [#6]-[#6]-[#8]-c1cc(\[#6]=[#6](\[#6](=O)-[#8]-[#6])-[#6](=O)-[#8]-[#6])ccc1-[#8]-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O Show InChI InChI=1S/C21H21NO8/c1-4-29-19-12-15(11-17(20(23)27-2)21(24)28-3)7-10-18(19)30-13-14-5-8-16(9-6-14)22(25)26/h5-12H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.19E+4	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/Q2CN72C0
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