BDBM81553 MgrA inhibitor, 2

SMILES: Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=SBOQSCPRBVKOEJ-ZDUSSCGKSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81553   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HTH-type transcriptional regulator mgrA (MgrA) (Staphylococcus aureus)	BDBM81553 (MgrA inhibitor, 2) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C16H17NO4/c1-10-3-4-11(2)17(10)13(8-16(18)19)12-5-6-14-15(7-12)21-9-20-14/h3-7,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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 (MgrA) (Staphylococcus aureus)	BDBM81553 (MgrA inhibitor, 2) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C16H17NO4/c1-10-3-4-11(2)17(10)13(8-16(18)19)12-5-6-14-15(7-12)21-9-20-14/h3-7,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	7.4	2.7
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