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BDBM50113239 7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL307105

SMILES: CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=QITWXKORLMEMBF-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50113239   
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 A2b


(Homo sapiens (Human))
BDBM50113239
PNG
(7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
691n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50113239
PNG
(7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
PDB

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PubMed
1.66E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50113239
PNG
(7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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PubMed
3.36E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50113239
PNG
(7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.67E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement.


Citation and Details
More data for this
Ligand-Target Pair