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 5 hits for monomerid = 50176050   

TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human adenosine 2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi: >1.00E+4nMAssay 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 ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176050(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed