BDBM10972 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-heptylcarbamate::CHEMBL433041::Eptastigmine::Heptylphysostigmine

SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C

InChI Key InChIKey=RRGMXBQMCUKRLH-CTNGQTDRSA-N

Data  1 KI  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 10972   

TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataKi:  100nMAssay Description:Binding affinity to AChE (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  110nMAssay Description:In vitro inhibitory activity against human acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Mus musculus (mouse))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  148nMAssay Description:Inhibitory activity against acetylcholinesterase in mice at the dose of 4.8 mg/kg via intraperitoneal administrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  290nMAssay Description:Inhibition of Acetylcholinesterase(AChE) from human RBCMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  9nMAssay Description:Inhibition of acetylcholinesterase.More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  9nMAssay Description:Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...More data for this Ligand-Target Pair
In DepthDetails Article
TargetCholinesterase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  0.690nMAssay Description:Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.00029-0.001More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human AChE by Ellmans testMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human erythrocytes AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of human plasma AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human erythrocytes BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human plasma BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  600nMAssay Description:Inhibitory activity against acetylcholinesterase in rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  125nMAssay Description:Inhibitory activity against acetylcholinesterase in human RBCMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  110nMAssay Description:In vitro inhibitory activity against human AchE (Acetylcholinesterase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against human plasma ButyrylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  22nMAssay Description:Inhibitory concentration against human erythrocyte AcetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  22nMpH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM10972((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  5nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed