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BDBM50096062 5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-pentanoic acid::CHEMBL135504

SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O

InChI Key: InChIKey=UJWPIYJOLWFFBE-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096062   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096062
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



UMR 8525 CNRS - Université Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.


J Med Chem 44: 548-65 (2001)


Article DOI: 10.1021/jm001079l
BindingDB Entry DOI: 10.7270/Q2MC8Z7R
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096062
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmodium falciparum Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096062
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair