BDBM14754 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline::1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline::6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride::CHEMBL19224::Papaverine

SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC

InChI Key InChIKey=XQYZDYMELSJDRZ-UHFFFAOYSA-N

Data  6 KI  47 IC50  2 EC50

PDB links: 5 PDB IDs match this monomer.

  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 55 hits for monomerid = 14754   

LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 210nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 284nMAssay Description:Inhibition of PDE3AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 40nMAssay Description:Inhibition of PDE10AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lungMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.31E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Rat)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant rat PDE10A expressed in Sf9 insect cells using cGMP or cAMP as substrate by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Rat)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Competitive inhibition of rat recombinant PDE10A by scintillation proximity assay in presence of cAMPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 5.89E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Electric eel)TBA
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.43E+4nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylcholine iodide as substrate by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAcetylcholinesterase(Human)
Naresuan University

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.43E+4nMAssay Description:Inhibition of AChE activityMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 97nMAssay Description:Inhibition of human MOLT4 cell-derived PDE10A using [3H]cAMP as substrate measured after 2 hrs in presence of rolipram/milrinone by topcount methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Rat)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant rat PDE10A expressed in Sf9 cells using cGMP/cAMP as substrate by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Human)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of PDE4A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 287nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 38nMAssay Description:Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of PDE10A (unknown origin) preincubated for 20 mins followed by substrate addition and measured after 1 hr by PEDlight AMP detection reage...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 76nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
Target3',5'-cyclic-AMP phosphodiesterase(Pig)
Eisai

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of cAMP specific phosphodiesterase from porcine coronary arteriesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataEC50:  7.30E+3nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataEC50:  3.01E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProtein-arginine deiminase type-4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 3.90E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetPhosphodiesterase(Trypanosoma cruzi)
University of North Carolina

LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.50E+4nMpH: 7.5 T: 2°CAssay Description:Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.16E+4nMAssay Description:Inhibition of [Ca(2+)]-calmodulin-dependent cGMP-phosphodiesterase 1 from porcine coronary arteriesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 8.80E+3nMAssay Description:Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 56.9nMAssay Description:Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Binding affinity to PDE10A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 56.9nMAssay Description:Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 210nMAssay Description:Inhibition of PDE10AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 21nMAssay Description:Inhibition of human recombinant PDE10A assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 917nMAssay Description:Inhibition of PDE3A assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3B(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.03E+3nMAssay Description:Inhibition of PDE3B assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Rat)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of rat PDE10AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 36nMAssay Description:Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lungMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteriesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPhosphodiesterase(Pig)
Eisai

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 620nMAssay Description:Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteriesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataIC50: 7.24E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Rat)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM14754(CHEMBL19224 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-...)
Affinity DataKi:  17nM ΔG°:  -10.5kcal/molepH: 7.5 T: 2°CAssay Description:PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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