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PDB code 1GQR

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Acetylcholinesterase

  (532/532 = 100%)
(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10630
PNG
(3-[1-(dimethylamino)ethyl]phenol | NAP)
Show SMILES CC(N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
PDB
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UniProtKB/SwissProt

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Article
PubMed
700n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase

  (532/532 = 100%)
(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10630
PNG
(3-[1-(dimethylamino)ethyl]phenol | NAP)
Show SMILES CC(N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
700 -35.1n/an/an/an/an/a7.525



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Biochemistry 41: 3555-64 (2002)


Article DOI: 10.1021/bi020016x
BindingDB Entry DOI: 10.7270/Q2NG4NVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output