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BDBM50006699 3-Propyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL76482

SMILES: CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O

InChI Key: InChIKey=ALBSDLFXZHITIK-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006699   
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 A1 receptor


(GUINEA PIG)
BDBM50006699
PNG
(3-Propyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C19H22N4O5/c1-5-8-23-17-15(18(24)22-19(23)25)20-14(21-17)7-6-11-9-12(26-2)16(28-4)13(10-11)27-3/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
820n/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
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50006699
PNG
(3-Propyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C19H22N4O5/c1-5-8-23-17-15(18(24)22-19(23)25)20-14(21-17)7-6-11-9-12(26-2)16(28-4)13(10-11)27-3/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+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 rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...


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