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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 = 'BDBM50016652'   
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))		BDBM50016652
PNG
(5-{5-Chloro-2-[2-(4-chloro-phenyl)-ethanesulfonyl]...)
Show SMILES Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14Cl2N2O4S/c18-11-3-1-10(2-4-11)7-8-26(24,25)14-6-5-12(19)9-13(14)15-16(22)21-17(23)20-15/h1-6,9,22H,7-8H2,(H2,20,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 220n/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