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BDBM50044435 3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL83822

SMILES: CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1

InChI Key: InChIKey=SYUQQQFRDCSCCA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50044435   
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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50044435
PNG
(3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C21H25N5O3/c1-2-10-26-20(28)17-19(24-18(23-17)14-5-8-16(27)12-14)25(21(26)29)11-9-13-3-6-15(22)7-4-13/h3-4,6-7,14H,2,5,8-12,22H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50044435
PNG
(3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C21H25N5O3/c1-2-10-26-20(28)17-19(24-18(23-17)14-5-8-16(27)12-14)25(21(26)29)11-9-13-3-6-15(22)7-4-13/h3-4,6-7,14H,2,5,8-12,22H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/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 by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair