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Target
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50600748'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.0810
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.302
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
11
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.80
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50600748
(CHEMBL5176737)
Show SMILES
Nc1nc(cn2c1nc1ccccc21)C(=O)NCc1ccccn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
119
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI:
10.7270/Q2417231
More data for this
Ligand-Target Pair
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