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PDB code 2HA0

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

  (543/543 = 100%)
(Mus musculus (mouse))
BDBM50055159
PNG
(CHEMBL136916 | CHEMBL150001 | Trimethyl-(4-oxo-pen...)
Show SMILES CC(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.0230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase

  (481/543 = 89%)
(Homo sapiens (human))
BDBM50055159
PNG
(CHEMBL136916 | CHEMBL150001 | Trimethyl-(4-oxo-pen...)
Show SMILES CC(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 8.47E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition acetylcholinesterase (AChE) enzyme.


J Med Chem 40: 4360-71 (1998)

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