Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) with all data for entry = 50000087
TargetCholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199186(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199201(6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...)
Affinity DataIC50: 90nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 200nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199201(6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 340nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199197(6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...)
Affinity DataIC50: 600nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199190(6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...)
Affinity DataIC50: 800nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199190(6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM8961(CHEMBL95 | Cognex | cid_1935 | CHEMBL1337960 | 1,2...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199201(6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199197(6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199186(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199186(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199190(6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199201(6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199190(6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...)
Affinity DataIC50: 1.38E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199197(6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...)
Affinity DataIC50: 2.23E+4nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM199186(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM8961(CHEMBL95 | Cognex | cid_1935 | CHEMBL1337960 | 1,2...)
Affinity DataIC50: 9.69E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2019
Entry Details Article
PubMed