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  128 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 81 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
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
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
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

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
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

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
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

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

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
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
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

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
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

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

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

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:  0.680nMAssay Description:Inhibitory concentration of the compound was determined in vitro and ex vivo for anti-AChE activity in rat brainMore 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:  128nMAssay Description:Concentration of the compound required to inhibit acetylcholinesterase isolated from human erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

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:Inhibition of Acetylcholinesterase(AChE) from human RBCMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

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:  32nMAssay Description:Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...More 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:  27.9nMAssay Description:Inhibition of human acetylcholinesterase from erythrocytes (RBC)More 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:  1.50E+3nMAssay Description:Inhibition of electric eel AChEMore 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:  80nMAssay Description:Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assayMore 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:  160nMAssay Description:Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...More 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:  40nMAssay Description:Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric methodMore 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:  40nMAssay Description:Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric methodMore 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:  1nMAssay Description:Inhibition of rat brain AChE by Ellman's methodMore 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:  56.7nMAssay Description:Inhibition of human AChE by Ellmans testMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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:  30nMAssay Description:Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%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:  43nMAssay Description:The compound was evaluated for the inhibition of human AcetylcholinesteraseMore 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 AchE (Acetylcholinesterase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAcetylcholinesterase(Mus musculus (mouse))
Eisai

Curated by ChEMBL
LigandPNGBDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Affinity DataIC50:  0.680nMAssay Description:Inhibitory activity against 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:  57nMAssay Description:Inhibitory activity against AcetylcholinesteraseMore 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:  19nMAssay Description:Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitroMore 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:  28nMAssay Description:Inhibitory concentration against human erythrocyte AcetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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:  123nMAssay Description:Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californicaMore 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:  18nMAssay Description:Inhibitory activity against acetylcholinesterase in human erythrocytesMore 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:  53nMAssay Description:Inhibition of electric eel AChE type 6SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed