BindingDB logo
myBDB logout

null

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1

InChI Key: InChIKey=QMSATIKBLGPXRH-UHFFFAOYSA-N

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 4 hits for monomerid = 81086   
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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81086
PNG
(2-(2-thenoylamino)acetic acid [2-keto-2-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
Show InChI InChI=1S/C15H12N2O6S/c18-12(10-3-5-11(6-4-10)17(21)22)9-23-14(19)8-16-15(20)13-2-1-7-24-13/h1-7H,8-9H2,(H,16,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81086
PNG
(2-(2-thenoylamino)acetic acid [2-keto-2-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
Show InChI InChI=1S/C15H12N2O6S/c18-12(10-3-5-11(6-4-10)17(21)22)9-23-14(19)8-16-15(20)13-2-1-7-24-13/h1-7H,8-9H2,(H,16,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81086
PNG
(2-(2-thenoylamino)acetic acid [2-keto-2-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
Show InChI InChI=1S/C15H12N2O6S/c18-12(10-3-5-11(6-4-10)17(21)22)9-23-14(19)8-16-15(20)13-2-1-7-24-13/h1-7H,8-9H2,(H,16,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))
BDBM81086
PNG
(2-(2-thenoylamino)acetic acid [2-keto-2-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
Show InChI InChI=1S/C15H12N2O6S/c18-12(10-3-5-11(6-4-10)17(21)22)9-23-14(19)8-16-15(20)13-2-1-7-24-13/h1-7H,8-9H2,(H,16,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair