BDBM50245831 2-(p-tolylthio)naphthalene-1,4-dione::CHEMBL501551

SMILES: Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=IHRGUZGBIGODSC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50245831   

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
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis)	BDBM50245831 (2-(p-tolylthio)naphthalene-1,4-dione | CHEMBL50155...) Show SMILES Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1 |t:6| Show InChI InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair