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SMILES: Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1

InChI Key:

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 = 50585026   
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))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
797n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.97E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair