BindingDB logo
myBDB logout

BDBM50006720 1,3-Dibutyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL307805

SMILES: CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O

InChI Key: InChIKey=IESVYUIVHGVRBK-VAWYXSNFSA-N

Data: 1 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 1 hit for monomerid = 50006720   
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)
BDBM50006720
PNG
(1,3-Dibutyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl...)
Show SMILES CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C25H34N4O5/c1-7-9-13-28-23-21(24(30)29(25(28)31)14-10-8-2)27(3)20(26-23)12-11-17-15-18(32-4)22(34-6)19(16-17)33-5/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+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