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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 = 'BDBM50107153'   
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


(Rattus norvegicus)
BDBM50107153
PNG
(CHEMBL334916 | [10-(4-Chloro-benzyl)-3,4-dioxo-3,4...)
Show SMILES OC(=O)Cn1nc2n(Cc3ccc(Cl)cc3)c3ccccc3n2c(=O)c1=O
Show InChI InChI=1S/C18H13ClN4O4/c19-12-7-5-11(6-8-12)9-21-13-3-1-2-4-14(13)23-17(27)16(26)22(10-15(24)25)20-18(21)23/h1-8H,9-10H2,(H,24,25)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 4.15E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens


J Med Chem 44: 4359-69 (2001)


BindingDB Entry DOI: 10.7270/Q21N80FB
More data for this
Ligand-Target Pair