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BDBM50113235 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL63944

SMILES: Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O

InChI Key: InChIKey=YAYRUHPCXIPTID-UHFFFAOYSA-N

Data: 5 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50113235   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50113235
PNG
(1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PDB

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PubMed
1.66E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50113235
PNG
(1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PDB
MMDB

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PubMed
3.19E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50113235
PNG
(1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
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PubMed
4.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-I-AB-MECA binding to human Adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50113235
PNG
(1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
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UniChem

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PubMed
1.02E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50113235
PNG
(1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
NCI pathway
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PC sid
UniChem

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PubMed
1.02E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand


Citation and Details
More data for this
Ligand-Target Pair