Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator MgrA' and Ligand = 'BDBM81555'   

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 MgrA (Staphylococcus aureus)	BDBM81555 (MgrA inhibitor, 4) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccsc1 |r| Show InChI InChI=1S/C13H15NO2S/c1-9-3-4-10(2)14(9)12(7-13(15)16)11-5-6-17-8-11/h3-6,8,12H,7H2,1-2H3,(H,15,16)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM81555 (MgrA inhibitor, 4) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccsc1 |r| Show InChI InChI=1S/C13H15NO2S/c1-9-3-4-10(2)14(9)12(7-13(15)16)11-5-6-17-8-11/h3-6,8,12H,7H2,1-2H3,(H,15,16)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	7.4	3.5
The University of Chicago					Assay Description A fluorescence anisotropy (FA)-based biochemical assay that monitors MgrA-DNA binding. To determine the binding affinity of MgrA to the labeled DNA,...				Chem Biol 18: 1032-41 (2011) Article DOI: 10.1016/j.chembiol.2011.05.014 BindingDB Entry DOI: 10.7270/Q2CN72DF
					More data for this Ligand-Target Pair