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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50591168'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50591168
PNG
(CHEMBL5180010)
Show SMILES Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
251n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01123
BindingDB Entry DOI: 10.7270/Q2KP8643
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50591168
PNG
(CHEMBL5180010)
Show SMILES Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01123
BindingDB Entry DOI: 10.7270/Q2KP8643
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50591168
PNG
(CHEMBL5180010)
Show SMILES Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 78n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01123
BindingDB Entry DOI: 10.7270/Q2KP8643
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50591168
PNG
(CHEMBL5180010)
Show SMILES Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 89n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01123
BindingDB Entry DOI: 10.7270/Q2KP8643
More data for this
Ligand-Target Pair