BindingDB logo
myBDB logout

BDBM50004572 8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL22099

SMILES: CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=IEKYXRLUXURDTP-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50004572   
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 A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.10E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair