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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 = 'BDBM50591169'   
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))
BDBM50591169
PNG
(CHEMBL5201810)
Show SMILES O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.115n/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))
BDBM50591169
PNG
(CHEMBL5201810)
Show SMILES O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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))
BDBM50591169
PNG
(CHEMBL5201810)
Show SMILES O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 355n/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))
BDBM50591169
PNG
(CHEMBL5201810)
Show SMILES O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 490n/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