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BDBM50018419 CHEMBL27762::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid ethyl ester::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid ethyl ester

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1

InChI Key: InChIKey=MVDJCRHMFYMNMB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50018419   
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 A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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PubMed
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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42n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)


Article DOI: 10.1021/jm00128a031
BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes


J Med Chem 32: 1873-9 (1989)


Article DOI: 10.1021/jm00128a031
BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair