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BDBM50006466 CHEMBL68586::[1-(4-Bromo-2-fluoro-benzyl)-4,5-dimethyl-6-oxo-1,6-dihydro-pyridazin-3-yl]-acetic acid

SMILES: Cc1c(C)c(=O)n(Cc2ccc(Br)cc2F)nc1CC(O)=O

InChI Key: InChIKey=AELHTGPZSMCCHY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006466   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006466
PNG
(CHEMBL68586 | [1-(4-Bromo-2-fluoro-benzyl)-4,5-dim...)
Show SMILES Cc1c(C)c(=O)n(Cc2ccc(Br)cc2F)nc1CC(O)=O
Show InChI InChI=1S/C15H14BrFN2O3/c1-8-9(2)15(22)19(18-13(8)6-14(20)21)7-10-3-4-11(16)5-12(10)17/h3-5H,6-7H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair