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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldose reductase' and Ligand = 'BDBM50009999'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 280 - 490


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair