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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50389627'   
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


(Rattus norvegicus (rat))
BDBM50389627
PNG
(CHEMBL2069647 | CHEMBL2069778)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H18N2O6/c27-18-12-8-14(9-13-18)20-19-21(32-26(20)17-4-2-1-3-5-17)23(29)25(22(19)28)16-10-6-15(7-11-16)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22.5n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389627
PNG
(CHEMBL2069647 | CHEMBL2069778)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H18N2O6/c27-18-12-8-14(9-13-18)20-19-21(32-26(20)17-4-2-1-3-5-17)23(29)25(22(19)28)16-10-6-15(7-11-16)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22.7n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair