BindingDB logo
myBDB logout

BDBM21223 2-mercaptopyrimidine analogue, 5b::N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]propanamide

InChI string: InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)

SMILES: CCC(=O)Nc1cc(OC)nc(SC)n1

InChI Key: InChIKey=GJFHACCFGHVGBN-UHFFFAOYSA-N

Data: 3 Other

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21223   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (human))
BDBM21223
PNG
(2-mercaptopyrimidine analogue, 5b | N-[6-methoxy-2...)
Show SMILES CCC(=O)Nc1cc(OC)nc(SC)n1
Show InChI InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

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 A3 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))
BDBM21223
PNG
(2-mercaptopyrimidine analogue, 5b | N-[6-methoxy-2...)
Show SMILES CCC(=O)Nc1cc(OC)nc(SC)n1
Show InChI InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21223
PNG
(2-mercaptopyrimidine analogue, 5b | N-[6-methoxy-2...)
Show SMILES CCC(=O)Nc1cc(OC)nc(SC)n1
Show InChI InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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 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