BindingDB logo
myBDB logout

null

SMILES: Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1

InChI Key: InChIKey=LSQHYWKBICIJRM-UHFFFAOYSA-N

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 = 82047   
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 receptor A2a


(Homo sapiens (Human))
BDBM82047
PNG
(8-(3-Furyl)theophylline)
Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1
Show InChI InChI=1S/C11H14N4O3/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-3-4-18-5-6/h6H,3-5H2,1-2H3,(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
984n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82047
PNG
(8-(3-Furyl)theophylline)
Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1
Show InChI InChI=1S/C11H14N4O3/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-3-4-18-5-6/h6H,3-5H2,1-2H3,(H,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
72.4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair