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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldose reductase' and Ligand = 'BDBM50229024'   
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
Aldose reductase


(Homo sapiens (Human))
BDBM50229024
PNG
(CHEMBL3349372)
Show SMILES CC(C)c1c(O)c(O)c(\C=N\O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(\C=N\O)c2c1O
Show InChI InChI=1S/C30H32N2O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31-39)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32-40)24(16)28(22)36/h7-12,33-40H,1-6H3/b31-9+,32-10+
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Aldose reductase from human placenta


J Med Chem 34: 3301-5 (1991)


Article DOI: 10.1021/jm00115a021
BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair