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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 = 'BDBM50008477'   
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))
BDBM50008477
PNG
(CHEMBL357435 | [4-Oxo-3-(3-phenyl-isothiazol-5-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2cc(ns2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3S/c24-19(25)11-18-15-8-4-5-9-16(15)20(26)23(21-18)12-14-10-17(22-27-14)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 670n/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