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BDBM50061945 3-Benzyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione::CHEMBL137944

SMILES: O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C

InChI Key: InChIKey=CFNMJQPREOPAPH-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50061945   
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))
BDBM50061945
PNG
(3-Benzyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Show InChI InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
860n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.


J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50061945
PNG
(3-Benzyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Show InChI InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
880n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.


J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair