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SMILES: C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key: InChIKey=FEXFJUAVGJIUNQ-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429846   
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
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50429846
PNG
(CHEMBL2338671)
Show SMILES C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-19(2,3)9-10-7-12-16(14(21)8-10)18(23)15-11(17(12)22)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H-,20,21,23)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.76E+3n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate addition by Ellm...


Bioorg Med Chem 21: 1064-73 (2013)


Article DOI: 10.1016/j.bmc.2013.01.015
BindingDB Entry DOI: 10.7270/Q2GB25C5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50429846
PNG
(CHEMBL2338671)
Show SMILES C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-19(2,3)9-10-7-12-16(14(21)8-10)18(23)15-11(17(12)22)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H-,20,21,23)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.87E+4n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry


Eur J Med Chem 75: 289-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.058
BindingDB Entry DOI: 10.7270/Q2F76F2M
More data for this
Ligand-Target Pair