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BDBM50245878 CHEMBL512926::N-(4-(1,4-dihydroxynaphthalen-2-ylsulfonyl)phenyl)acetamide

SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O

InChI Key: InChIKey=SMPMCULEFKQGJW-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 = 50245878   
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)
BDBM50245878
PNG
(CHEMBL512926 | N-(4-(1,4-dihydroxynaphthalen-2-yls...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.76n/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)
BDBM50245878
PNG
(CHEMBL512926 | N-(4-(1,4-dihydroxynaphthalen-2-yls...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29.6n/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