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BDBM21235 2-mercaptopyrimidine analogue, 5n::N-{6-[(2,4-dichlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide

InChI string: InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)

SMILES: CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1

InChI Key: InChIKey=ALKHYYXDOUGTKZ-UHFFFAOYSA-N

Data: 1 KI  2 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 = 21235   
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))
BDBM21235
PNG
(2-mercaptopyrimidine analogue, 5n | N-{6-[(2,4-dic...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
30 -10.3n/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))
BDBM21235
PNG
(2-mercaptopyrimidine analogue, 5n | N-{6-[(2,4-dic...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21235
PNG
(2-mercaptopyrimidine analogue, 5n | N-{6-[(2,4-dic...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22)
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