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BDBM50039674 Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclopentyl ester::CHEMBL88128

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr

InChI Key: InChIKey=DHSWQSKKSQHZGX-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50039674   
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 A1


(Homo sapiens (human))
BDBM50039674
PNG
(Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr
Show InChI InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.


J Med Chem 37: 2704-12 (1994)


Article DOI: 10.1021/jm00043a010
BindingDB Entry DOI: 10.7270/Q24748X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50039674
PNG
(Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr
Show InChI InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.710n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Specific binding of [3H]-CPX to the A1-adenosine receptor


J Med Chem 37: 2704-12 (1994)


Article DOI: 10.1021/jm00043a010
BindingDB Entry DOI: 10.7270/Q24748X6
More data for this
Ligand-Target Pair