BindingDB logo
myBDB logout

PubMed code 21189039

Compile data set for download or QSAR
Found 3 hits of 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


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50335906
PNG
((+)-(S)-dihydro-ar-turmerone | CHEMBL1668334)
Show SMILES CC(C)CC(=O)C[C@H](C)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.15E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50335905
PNG
((+)-(S)-ar-turmerone | CHEMBL1668333)
Show SMILES [#6]-[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6])cc1 |r|
Show InChI InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%