BDBM50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::US11806350, Compound Istradefylline::istradefylline

SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O

InChI Key InChIKey=IQVRBWUUXZMOPW-PKNBQFBNSA-N

Data  64 KI  9 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50176050   

TargetAdenosine receptor A2a(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi:  47nMAssay 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
TargetAdenosine receptor A1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human MAOB after 1 hr by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed