BindingDB logo
myBDB logout

null

SMILES: OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccccc1

InChI Key: InChIKey=AEXCWNZUQGRKDR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487916   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50487916
PNG
(CHEMBL2261575)
Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccccc1 |c:22,t:8|
Show InChI InChI=1S/C21H16O7/c22-12-8-13-18(14(23)9-12)15(24)10-16-19(13)20(11-4-2-1-3-5-11)21(27,28-16)7-6-17(25)26/h1-5,8-10,22-23,27H,6-7H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase

Citation and Details

Article DOI: 10.1007/s00044-011-9681-6
BindingDB Entry DOI: 10.7270/Q2J1061V
More data for this
Ligand-Target Pair