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BDBM50415451 CHEMBL597167

SMILES: CCCn1c(=O)n(CC2CCCO2)c2nc([nH]c2c1=O)-c1ccccc1

InChI Key: InChIKey=OGPQHEMBKDJNNB-UHFFFAOYNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50415451   
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 A3


(Homo sapiens (Human))
BDBM50415451
PNG
(CHEMBL597167)
Show SMILES CCCn1c(=O)n(CC2CCCO2)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1/C19H22N4O3/c1-2-10-22-18(24)15-17(21-16(20-15)13-7-4-3-5-8-13)23(19(22)25)12-14-9-6-11-26-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,20,21)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Universidade de Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cells by microplate beta scintillation counter


Bioorg Med Chem 18: 2001-9 (2010)


Article DOI: 10.1016/j.bmc.2010.01.028
BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50415451
PNG
(CHEMBL597167)
Show SMILES CCCn1c(=O)n(CC2CCCO2)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1/C19H22N4O3/c1-2-10-22-18(24)15-17(21-16(20-15)13-7-4-3-5-8-13)23(19(22)25)12-14-9-6-11-26-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
224n/an/an/an/an/an/an/an/a



Universidade de Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by microplate beta scintillation counter


Bioorg Med Chem 18: 2001-9 (2010)


Article DOI: 10.1016/j.bmc.2010.01.028
BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
More data for this
Ligand-Target Pair