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1 similar compounds to monomer 50039682

Compile data set for download or QSAR
Wt: 437.4
BDBM50039689

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50039689   
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))
BDBM50039689
PNG
(3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.790n/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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039689
PNG
(3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/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