BDBM11023 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid::Eserine::cid_657348::physostigmine.salicylic acid

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

InChI Key InChIKey=PIJVFDBKTWXHHD-HIFRSBDPSA-N

Data  1 KI  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11023   

TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataKi:  210nMAssay Description:Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
The Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  21.3nMAssay Description:Inhibition of Torpedo california AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(West Nile virus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: >5.00E+4nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAcetylcholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  40nMpH: 7.7Assay Description:The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  850nMpH: 7.7Assay Description:The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
TBA

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  40nMpH: 7.7Assay Description:The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 無 reaction mixture contained 60 無 50 mM Na2HPO4 b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  850nMpH: 7.7Assay Description:The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 無 reaction mixture contained 60 無 50 mM Na2HPO4 b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
The Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  850nMpH: 7.7Assay Description:Total volume of the reaction mixture was 100 無. It contained 60 無 Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 無 test compound (0.5 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  40nMpH: 7.7Assay Description:Total volume of the reaction mixture was 100 無 containing 60 無, Na2HPO4 buffer, 50 mM and pH 7.7. Ten 無 test compound 0.5 mM well-1 was added foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  14nMAssay Description:Inhibition of acetylcholinesterase (AChE) of human erythrocytesChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  23nMAssay Description:Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)]Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  28nMpH: 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 ArticlePubMedDrugBank

TargetCholinesterase(Homo sapiens (Human))
Government College University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50:  16nMAssay 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