Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator ExsA' and Ligand = 'BDBM50319082'   

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)	BDBM50319082 ((E)-3-(6-(1H-imidazol-1-yl)pyridin-3-yl)-N-(4-(1-h...) Show SMILES On1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccc(NC(=O)\C=C\c2ccc(nc2)-n2ccnc2)cc1 Show InChI InChI=1S/C24H17N7O4/c32-23(10-2-16-1-9-22(26-14-16)29-12-11-25-15-29)27-18-5-3-17(4-6-18)24-28-20-8-7-19(31(34)35)13-21(20)30(24)33/h1-15,33H,(H,27,32)/b10-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.12E+4	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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