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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldose reductase (AR)' and Ligand = 'BDBM50010445'   
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 (AR)


(Homo sapiens (Human))
BDBM50010445
PNG
(5,5'-Diisopropyl-3,4,3',4'-tetramethoxy-7,7'-dimet...)
Show SMILES COc1c2C(=O)Oc3c(c(C)cc(c(C(C)C)c1OC)c23)-c1c2OC(=O)c3c(OC)c(OC)c(C(C)C)c(cc1C)c23
Show InChI InChI=1S/C34H34O8/c1-13(2)19-17-11-15(5)21(27-23(17)25(33(35)41-27)31(39-9)29(19)37-7)22-16(6)12-18-20(14(3)4)30(38-8)32(40-10)26-24(18)28(22)42-34(26)36/h11-14H,1-10H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.80E+4n/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