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BDBM50361317 CHEMBL1935744

SMILES: CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=DMKJPAYMGBCNOU-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50361317   
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 A2a


(Homo sapiens (Human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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Article
PubMed
35n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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Article
PubMed
55n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair