BDBM50004000 (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate::Antilirium::CHEMBL94::Eserine::Physostol::physostigmine

SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1

InChI Key InChIKey=PIJVFDBKTWXHHD-HIFRSBDPSA-N

Data  4 KI  127 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 131 hits for monomerid = 50004000   

TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataKi:  34nMAssay Description:Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataKi:  41nMAssay Description:Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataKi:  1.00E+3nMAssay Description:Tested for in vitro inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  1nMAssay Description:Inhibitory activity against acetylcholinesterase as a prodrug was demonstratedMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCarboxylic ester hydrolase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  4.67E+3nMAssay Description:Inhibition of (BChE) Butyrylcholinesterase of horse serumMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  0.430nMAssay Description:In vitro inhibitory activity of the compound against acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarboxylic ester hydrolase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  16nMAssay Description:Compound was evaluated for its inhibitory concentration against Horse serum ButyrylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Eisai

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  8.10nMAssay Description:In vitro inhibitory concentration of the compound against butyrylcholinesterase (BuChE) obtained from rat plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Mus musculus (mouse))
Eisai

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  0.690nMAssay Description:In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Istituto Di Strutturistica Chimica G. Giacomello

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  46nMAssay Description:Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  46nMAssay Description:Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(RAT)
University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  35nMAssay Description:In vitro inhibition of human butryl cholinesterase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Mus musculus)
University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  3.70E+4nMAssay Description:Binding affinity of the compound against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  43nMAssay Description:In vitro inhibition of human acetylcholinesterase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  129nMAssay Description:Inhibitory activity against Butyrylcholinesterase in cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  35nMAssay Description:Inhibitory activity against Acetylcholinesterase in erythrocyteMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  28nMAssay Description:Inhibitory activity against Acetylcholinesterase in electric eelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  61nMAssay Description:In vitro inhibitory activity against acetylcholinesterase from electric eelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxylic ester hydrolase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  73nMAssay Description:Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Mus musculus)
University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  3.70E+4nMAssay Description:Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to muscarinic acetylcholine receptor M1 of mouse cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Centre De Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  80nMAssay Description:In vitro inhibitory effect on rat AcetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  19nMAssay Description:In vitro inhibition of Acetylcholinesterase from human erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  73nMAssay Description:In vitro inhibition of Butyrylcholinesterase from human serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Centre De Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  190nMAssay Description:Inhibitory activity against acetylcholine esterase (AChE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  19nMAssay Description:Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  128nMAssay Description:In vitro inhibitory activity against human acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  930nMAssay Description:Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Istituto Di Strutturistica Chimica G. Giacomello

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  11nMAssay Description:Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  14nMAssay Description:Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  7.70nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  60nMAssay Description:Inhibition of equine serum BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Bos taurus (bovine))
Istituto Di Strutturistica Chimica G. Giacomello

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  146nMAssay Description:Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  47nMAssay Description:Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Mus musculus (Mouse))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  280nMAssay Description:Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Mus musculus (Mouse))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  280nMAssay Description:Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  857nMAssay Description:Inhibition of horse BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  41nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  41nMAssay Description:Inhibition of electric eel AChE by modified Ellman methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  857nMAssay Description:Inhibition of BChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  30nMAssay Description:Inhibitory concentration against acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  500nMAssay Description:Inhibition of AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  40nMAssay Description:Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  850nMAssay Description:Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  28nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  103nMAssay Description:Inhibition of electric eel AchE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  275nMAssay Description:Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  61nMAssay Description:Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assayMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

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