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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 = 'BDBM50010451'   
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))
BDBM50010451
PNG
(But-2-enoic acid 1'-but-2-enoyloxy-8,8'-dicyano-6,...)
Show SMILES C\C=C\C(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)\C=C\C
Show InChI InChI=1S/C38H36N2O8/c1-9-11-25(41)47-37-29(19(7)13-21-27(17(3)4)35(45)33(43)23(15-39)31(21)37)30-20(8)14-22-28(18(5)6)36(46)34(44)24(16-40)32(22)38(30)48-26(42)12-10-2/h9-14,17-18,43-46H,1-8H3/b11-9+,12-10+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+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