Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator ExsA' and Ligand = 'BDBM50319088'   

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
HTH-type transcriptional regulator ExsA (Pseudomonas aeruginosa)	BDBM50319088 ((E)-2-(2-(4-(3-(4-acetylphenyl)acrylamido)phenyl)-...) Show SMILES CC(=O)c1ccc(C=CC(=O)Nc2ccc(cc2)-c2nc3c(CC(O)=O)cc(cc3n2O)[N+]([O-])=O)cc1 |w:8.8| Show InChI InChI=1S/C26H20N4O7/c1-15(31)17-5-2-16(3-6-17)4-11-23(32)27-20-9-7-18(8-10-20)26-28-25-19(13-24(33)34)12-21(30(36)37)14-22(25)29(26)35/h2-12,14,35H,13H2,1H3,(H,27,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Paratek Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 ExsA DNA binding activity				Bioorg Med Chem Lett 20: 3380-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.014 BindingDB Entry DOI: 10.7270/Q20R9PJ2
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