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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50012030   
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))
BDBM50553401
PNG
(CHEMBL4778265)
Show SMILES C[C@H](O)COc1nc(nc(N)c1C(=O)NCc1ncccc1C)-c1ccco1 |r|
PDB

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UniProtKB/SwissProt

DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FRET-labelled CA200645 binding to human adenosine A3 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00237
BindingDB Entry DOI: 10.7270/Q2M330F6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50553402
PNG
(CHEMBL4759461)
Show SMILES Cc1cccnc1CNC(=O)c1c(N)nc(nc1OCCF)-c1ccco1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
62n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FRET-labelled CA200645 binding to human adenosine A3 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00237
BindingDB Entry DOI: 10.7270/Q2M330F6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50553400
PNG
(CHEMBL4782266)
Show SMILES Cc1cccnc1CNC(=O)c1cnc(nc1N)-c1ccco1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
908n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FRET-labelled CA200645 binding to human adenosine A3 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00237
BindingDB Entry DOI: 10.7270/Q2M330F6
More data for this
Ligand-Target Pair