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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 = 'BDBM50008455'   
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))		BDBM50008455
PNG
((4-Oxo-3-thieno[2,3-b]pyridin-2-ylmethyl-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O3S/c22-16(23)9-15-13-5-1-2-6-14(13)18(24)21(20-15)10-12-8-11-4-3-7-19-17(11)25-12/h1-8H,9-10H2,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 420n/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