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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 = 'BDBM50016641'   
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))		BDBM50016641
PNG
(5-(5-Chloro-2-methanesulfonyl-3-trifluoromethyl-ph...)
Show SMILES CS(=O)(=O)c1c(cc(Cl)cc1C(F)(F)F)-c1[nH]c(=O)[nH]c1O
Show InChI InChI=1S/C11H8ClF3N2O4S/c1-22(20,21)8-5(7-9(18)17-10(19)16-7)2-4(12)3-6(8)11(13,14)15/h2-3,18H,1H3,(H2,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 580n/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