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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 = 'BDBM50009794'   
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))
BDBM50009794
PNG
((5-Methyl-3-naphtho[1,2-d]thiazol-2-ylmethyl-4-oxo...)
Show SMILES Cc1cccc2c(CC(O)=O)nn(Cc3nc4c(ccc5ccccc45)s3)c(=O)c12
Show InChI InChI=1S/C23H17N3O3S/c1-13-5-4-8-16-17(11-20(27)28)25-26(23(29)21(13)16)12-19-24-22-15-7-3-2-6-14(15)9-10-18(22)30-19/h2-10H,11-12H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair