BindingDB logo
myBDB logout

BDBM50245879 2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol::CHEMBL460104

SMILES: Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SXWUEZFUYNUEML-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 = 50245879   
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)
BDBM50245879
PNG
(2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.61n/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)
BDBM50245879
PNG
(2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 129n/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