null

SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=WBWFIUAVMCNYPG-BQYQJAHWSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50037429   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  9.08nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28914WWPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  28nMAssay Description:Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB472HPubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Antagonist activity against adenosine A2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25B039WPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Binding affinity to adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1TWMPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  36nMAssay Description:Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K27P3PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  38nMAssay Description:Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  54nMAssay Description:Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atriaMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  54nMAssay Description:Antagonist activity at rat adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4TWFPubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  54nMAssay Description:Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligandMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BV7FPBPubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  54nMAssay Description:Displacement of [3H]-CGS 21680 from Adenosine A2A receptor in rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DTPPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  70nMAssay Description:Inhibition of MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25B039WPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  81nMAssay Description:Inhibition of MAO-B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4TWFPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  86nMAssay Description:Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastorisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53KQBPubMed
TargetAmine oxidase [flavin-containing] B(Mus musculus)
North-West University

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:Inhibition of mouse brain MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1CDWPubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  204nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB472HPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  210nMAssay Description:Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38V8KPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  235nMAssay Description:Inhibition of MAOB in human liver mitochondriaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB472HPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analy...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K27P3PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  8.20E+3nMAssay Description:Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  2.80E+4nMAssay Description:Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K27P3PubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  2.80E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  2.80E+4nMAssay Description:Displacement of [3H]-N6-(2-phenylisopropyl)adenosine from Adenosine A1 receptor in rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571DTPPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  2.82E+4nMAssay Description:Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28914WWPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-Universität Würzburg

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataKi:  2.82E+4nMAssay Description:Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BV7FPBPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS312PPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS312PPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to sub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C71BRPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of human MAO-BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4TWFPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human MAO-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4TWFPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Bologna

Curated by ChEMBL
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataIC50: 588nMAssay Description:Inhibition of human MAOB after 1 hr by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB472HPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataEC50: >1.16E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23XQJPCBioAssay
TargetAryl hydrocarbon receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50037429(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)copy SMILEScopy InChI
Affinity DataEC50:  3.34E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K93612PCBioAssay