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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 = 'BDBM50016635'   
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))
BDBM50016635
PNG
(5-[5-Chloro-2-(4-chloro-phenylmethanesulfinyl)-phe...)
Show SMILES Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O3S/c17-10-3-1-9(2-4-10)8-24(23)13-6-5-11(18)7-12(13)14-15(21)20-16(22)19-14/h1-7,21H,8H2,(H2,19,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 470n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehyde as substrate


J Med Chem 32: 1208-13 (1989)


BindingDB Entry DOI: 10.7270/Q24B309G
More data for this
Ligand-Target Pair