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BDBM50245828 2-Tosylnaphthalene-1,4-diol::CHEMBL509952

SMILES: Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O

InChI Key: InChIKey=CYYDOKQRZQTSOL-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 = 50245828   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245828
PNG
(2-Tosylnaphthalene-1,4-diol | CHEMBL509952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.610n/an/an/an/an/an/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)
BDBM50245828
PNG
(2-Tosylnaphthalene-1,4-diol | CHEMBL509952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73.6n/an/an/an/an/an/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