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BDBM50006706 8-[2-(3,4-Dichloro-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL76540

SMILES: CCCn1c2nc(C=Cc3ccc(Cl)c(Cl)c3)[nH]c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=UXGPRYZDDSJSDE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006706   
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)
BDBM50006706
PNG
(8-[2-(3,4-Dichloro-phenyl)-vinyl]-1,3-dipropyl-3,7...)
Show SMILES CCCn1c2nc(C=Cc3ccc(Cl)c(Cl)c3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H20Cl2N4O2/c1-3-9-24-17-16(18(26)25(10-4-2)19(24)27)22-15(23-17)8-6-12-5-7-13(20)14(21)11-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

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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 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