BDBM50037429 8-(3-chlorostyryl)caffeine::8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione::CHEMBL26138::CSC::cid_5353365
SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
InChI Key InChIKey=WBWFIUAVMCNYPG-BQYQJAHWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 37 hits for monomerid = 50037429
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
Affinity DataKi: 9.08nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
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
Affinity DataKi: 36nMAssay Description:Antagonist activity against adenosine A2 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
Affinity DataKi: 36nMAssay Description:Binding affinity to adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
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
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
Affinity DataKi: 36nMAssay Description:Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assayMore data for this Ligand-Target Pair
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
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
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
Affinity DataKi: 54nMAssay Description:Displacement of [3H]-CGS 21680 from Adenosine A2A receptor in rat cortical membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes
Curated by ChEMBL
National Institute Of Diabetes
Curated by ChEMBL
Affinity DataKi: 54nMAssay Description:Antagonist activity at rat adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
Affinity DataKi: 81nMAssay Description:Inhibition of MAO-B (unknown origin)More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
Affinity DataKi: 86nMAssay Description:Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastorisMore data for this Ligand-Target Pair
Affinity DataKi: 100nMAssay Description:Inhibition of mouse brain MAOBMore data for this Ligand-Target Pair
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
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
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
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
Affinity DataKi: 235nMAssay Description:Inhibition of MAOB in human liver mitochondriaMore data for this Ligand-Target Pair
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
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
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Affinity DataKi: 2.82E+4nMAssay Description:Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
Julius-Maximilians-UniversitäT WüRzburg
Curated by ChEMBL
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
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
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
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
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
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
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
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
Affinity DataIC50: 18nMAssay Description:Inhibition of human MAO-BMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human MAO-AMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Bologna
Curated by ChEMBL
University Of Bologna
Curated by ChEMBL
Affinity DataIC50: 588nMAssay Description:Inhibition of human MAOB after 1 hr by luminescence assayMore data for this Ligand-Target Pair
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
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
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
TargetAryl hydrocarbon receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
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