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PubMed code 15568781

Compile data set for download or QSAR
Found 2 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


(Rattus norvegicus (rat))
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
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PDB
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Instituto de Qu£mica da Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of rat brain acetylcholinesterase by colorimetric method


J Nat Prod 67: 1882-5 (2004)


Article DOI: 10.1021/np049863m
BindingDB Entry DOI: 10.7270/Q2NV9K4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50377914
PNG
(TURBINATINE)
Show SMILES COC(=O)C(C=O)[C@H]1C[C@@H]2N(CCc3c2[nH]c2ccccc32)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1C=C |r|
Show InChI InChI=1S/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16-17,19-20,22-25,27-28,31-34H,1,8-10,12H2,2H3/t13-,16-,17?,19-,20-,22-,23+,24-,25-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



Instituto de Qu£mica da Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of rat brain acetylcholinesterase by colorimetric method


J Nat Prod 67: 1882-5 (2004)


Article DOI: 10.1021/np049863m
BindingDB Entry DOI: 10.7270/Q2NV9K4C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%