BDBM50256895 8-Bromo-9-isopropyl-9H-adenine::CHEMBL446264

SMILES CC(C)n1c(Br)nc2c(N)ncnc12

InChI Key InChIKey=AFKIJCJUVRTHPD-UHFFFAOYSA-N

Data  4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50256895   

TargetAdenosine receptor A2a(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50256895(8-Bromo-9-isopropyl-9H-adenine | CHEMBL446264)
Show SMILES CC(C)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C8H10BrN5/c1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4H,1-2H3,(H2,10,11,12)
Affinity DataKi:  74nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50256895(8-Bromo-9-isopropyl-9H-adenine | CHEMBL446264)
Show SMILES CC(C)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C8H10BrN5/c1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4H,1-2H3,(H2,10,11,12)
Affinity DataKi:  830nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50256895(8-Bromo-9-isopropyl-9H-adenine | CHEMBL446264)
Show SMILES CC(C)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C8H10BrN5/c1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4H,1-2H3,(H2,10,11,12)
Affinity DataKi:  1.10E+3nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activityMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50256895(8-Bromo-9-isopropyl-9H-adenine | CHEMBL446264)
Show SMILES CC(C)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C8H10BrN5/c1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4H,1-2H3,(H2,10,11,12)
Affinity DataKi:  1.50E+4nMAssay Description:Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair