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BDBM50308567 CHEMBL592891::N-(4-acetylphenyl)-2-(4-(7-methyl-2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide

InChI string: InChI=1S/C28H31N5O5/c1-5-15-32-26-24(27(36)33(16-6-2)28(32)37)31(4)25(30-26)20-9-13-22(14-10-20)38-17-23(35)29-21-11-7-19(8-12-21)18(3)34/h7-14H,5-6,15-17H2,1-4H3,(H,29,35)

SMILES: CCCn1c2nc(-c3ccc(OCC(=O)Nc4ccc(cc4)C(C)=O)cc3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=CWPZMYCINZPVRZ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308567   
Target
(Institution)
LigandTarget
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))
BDBM50308567
PNG
(CHEMBL592891 | N-(4-acetylphenyl)-2-(4-(7-methyl-2...)
Show SMILES CCCn1c2nc(-c3ccc(OCC(=O)Nc4ccc(cc4)C(C)=O)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C28H31N5O5/c1-5-15-32-26-24(27(36)33(16-6-2)28(32)37)31(4)25(30-26)20-9-13-22(14-10-20)38-17-23(35)29-21-11-7-19(8-12-21)18(3)34/h7-14H,5-6,15-17H2,1-4H3,(H,29,35)
NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.39n/an/an/an/an/an/an/an/a



Universidad de M£laga

Curated by ChEMBL


Assay Description
Inhibition of adenosine A2B receptor


Citation and Details
More data for this
Ligand-Target Pair