BDBM50245830 3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic acid::CHEMBL455414

SMILES: OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O

InChI Key: InChIKey=AEEJSZCMSYRVSK-UHFFFAOYSA-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 = 50245830   

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)	BDBM50245830 (3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic ...) Show SMILES OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53	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
Beta-ketoacyl-ACP-synthase III (Plasmodium falciparum)	BDBM50245830 (3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic ...) Show SMILES OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46.5	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 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