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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50008491'   
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
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50008491
PNG
(CHEMBL356286 | {3-[3-(2,4-Difluoro-phenyl)-[1,2,4]...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccc(F)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F2N4O4/c20-10-5-6-13(14(21)7-10)18-22-16(29-24-18)9-25-19(28)12-4-2-1-3-11(12)15(23-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 630n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair