null

SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12

InChI Key InChIKey=JMGUSOLCNQVZCT-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 19188   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2E1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.94E+3nMAssay Description:Inhibition of MAO-A from Wistar rat brain by radioenzymatic assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of MAO-B from Wistar rat brain by radioenzymatic assayMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.89E+3nMAssay Description:Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WM1HCDPubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay in presence of human platelet rich plasmaMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric methodMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Universita degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2VJ6PubMed