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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50014111   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50014111
PNG
(CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase in cortex


J Med Chem 33: 2311-9 (1990)


BindingDB Entry DOI: 10.7270/Q24M93HF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50014111
PNG
(CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase in erythrocyte


J Med Chem 33: 2311-9 (1990)


BindingDB Entry DOI: 10.7270/Q24M93HF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50014111
PNG
(CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory activity against Butyrylcholinesterase in cortex


J Med Chem 33: 2311-9 (1990)


BindingDB Entry DOI: 10.7270/Q24M93HF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50014111
PNG
(CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1
PDB
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n/an/a 35n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory activity against Butyrylcholinesterase in cortex


J Med Chem 33: 2311-9 (1990)


BindingDB Entry DOI: 10.7270/Q24M93HF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50014111
PNG
(CHEMBL305670 | Methyl-carbamic acid 3a,8-dimethyl-...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12-,14+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 57n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase in electric eel


J Med Chem 33: 2311-9 (1990)


BindingDB Entry DOI: 10.7270/Q24M93HF
More data for this
Ligand-Target Pair