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SMILES: OCC(O)C(O)C(O)(Oc1ccc(\C=C\C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(O)=O)cc1O)C(O)C=O

InChI Key: InChIKey=PXMXEJVPQHZLQW-ORXJEPPGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487932   
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)		BDBM50487932
PNG
(CHEMBL2261310)
Show SMILES OCC(O)C(O)C(O)(Oc1ccc(\C=C\C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(O)=O)cc1O)C(O)C=O |r|
Show InChI InChI=1S/C24H26O14/c25-10-17(30)22(33)24(36,20(31)11-26)38-18-5-2-12(7-16(18)29)3-6-21(32)37-19(23(34)35)9-13-1-4-14(27)15(28)8-13/h1-8,11,17,19-20,22,25,27-31,33,36H,9-10H2,(H,34,35)/b6-3+/t17?,19-,20?,22?,24?/m1/s1
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
n/an/a 3.16E+3n/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