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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50025302   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50025302
PNG
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7,8-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
Show InChI InChI=1S/C17H14O7/c1-22-14-7-12(21)15-11(20)6-13(24-17(15)16(14)23-2)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77.6n/an/an/an/an/an/a



INIFTA (UNLP, CCT La Plata-CONICET)

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase


Bioorg Med Chem 16: 7470-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.004
BindingDB Entry DOI: 10.7270/Q2862HQJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025302
PNG
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7,8-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
Show InChI InChI=1S/C17H14O7/c1-22-14-7-12(21)15-11(20)6-13(24-17(15)16(14)23-2)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells.


J Med Chem 29: 2256-62 (1986)


BindingDB Entry DOI: 10.7270/Q2M907P5
More data for this
Ligand-Target Pair