Compile Data Set for Download or QSAR
Found 17 Enz. Inhib. hit(s) with all data for entry = 50010695
TargetCytochrome P450 3A4(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)copy SMILEScopy InChI
Affinity DataKi:  4.70E+3nMAssay Description:Inactivation of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMedDrugBank
TargetEpidermal growth factor receptor(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of EGFR1 (unknown origin)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50541071(CHEMBL4528766)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)copy SMILEScopy InChI
Affinity DataIC50: 3.10nMAssay Description:Inhibition of EGFR1 (unknown origin)More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50087800((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of Sprague-Dawley rat liver mitochondrial MAO-B using [14C]-PEA as substrate after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50541071(CHEMBL4528766)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of human MAO-A using Tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)copy SMILEScopy InChI
Affinity DataIC50: 343nMAssay Description:Inhibition of EGFR2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
Affinity DataIC50: 513nMAssay Description:Inhibition of EGFR2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetCholinesterase(Equus caballus (Horse))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50541071(CHEMBL4528766)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured aft...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50087800((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)copy SMILEScopy InChI
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of Sprague-Dawley rat liver mitochondrial MAO-A using [14C]-5-HT as substrate after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetCholinesterase(Equus caballus (Horse))
St. John's University

Curated by ChEMBL
LigandPNGBDBM10750((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+3nMAssay Description:Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine as substrate preincubated for 60 mins followed by substrate addition by Ell...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50541071(CHEMBL4528766)copy SMILEScopy InChI
Affinity DataIC50: 3.95E+3nMAssay Description:Inhibition of human MAO-B using Tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM10750((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)copy SMILEScopy InChI
Affinity DataIC50: 3.18E+4nMAssay Description:Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition by Ellma...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM10750((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)copy SMILEScopy InChI
Affinity DataIC50: 3.71E+4nMAssay Description:Inhibition of human MAO-BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM10750((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MAO-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetCholinesterase(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50087800((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of butyrylcholinesterase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. John's University

Curated by ChEMBL
LigandPNGBDBM50087800((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of acetylcholinesterase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CN77FZPubMed