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BDBM50056527 CHEMBL161556::[3-(4-Chloro-3-nitro-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetic acid

SMILES: OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O

InChI Key: InChIKey=SRSCMKAWNIMFBH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50056527   
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
Aldehyde reductase


(Rattus norvegicus)
BDBM50056527
PNG
(CHEMBL161556 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50056527
PNG
(CHEMBL161556 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat lens aldose reductase(AR).


J Med Chem 40: 684-94 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)