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BDBM50379291 CHEMBL2011643

SMILES: CC(C)[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=FYIRTYWAWSCPCM-WKQVXWNENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379291   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase


(Rattus norvegicus)
BDBM50379291
PNG
(CHEMBL2011643)
Show SMILES CC(C)[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C30H42O10/c1-15(2)19-13-22(39-23(34)12-8-17-6-9-18(32)10-7-17)30(4)21(33)11-5-16(3)24(30)28(19)40-29-27(37)26(36)25(35)20(14-31)38-29/h5-10,12,15,19-22,24-29,31-33,35-37H,11,13-14H2,1-4H3/b12-8+/t19-,20+,21+,22-,24+,25+,26-,27+,28+,29-,30+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Korean Institute of Oriental Medicine (KIOM)

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lens aldose reductase


J Nat Prod 75: 267-70 (2012)


Article DOI: 10.1021/np200646e
BindingDB Entry DOI: 10.7270/Q2XS5WCH
More data for this
Ligand-Target Pair