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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2 receptor' and Ligand = 'BDBM50003018'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50003018
PNG
(8-(3-Oxo-cyclopentyl)-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.51E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rhesus moneky striatum with N-[3H] ethyladenosin-5''-uronamide (NECA) and 30 nM (R)-PIA


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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003018
PNG
(8-(3-Oxo-cyclopentyl)-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70E+3n/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 A2 receptor


(Homo sapiens (Human))
BDBM50003018
PNG
(8-(3-Oxo-cyclopentyl)-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair