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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 = 'BDBM50008461'   
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))
BDBM50008461
PNG
(CHEMBL141390 | {4-Oxo-3-[3-(2-trifluoromethyl-phen...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)14-8-4-3-7-13(14)18-24-16(31-26-18)10-27-19(30)12-6-2-1-5-11(12)15(25-27)9-17(28)29/h1-8H,9-10H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 220n/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