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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptors; A1 & A2a' and Ligand = 'BDBM21227'   
Target
(Institution)
LigandTarget
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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM21227
PNG
(2-mercaptopyrimidine analogue, 5f | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(=O)CC)cc(OC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
486 -36.0n/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21227
PNG
(2-mercaptopyrimidine analogue, 5f | N-[6-methoxy-2...)
Show SMILES CCCSc1nc(NC(=O)CC)cc(OC)n1
Show InChI InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair