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BDBM50377502 CHEMBL406315

SMILES: CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1

InChI Key: InChIKey=RHKUYOQQESUGNM-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 = 50377502   
Target/Host
(Institution)
LigandTarget/Host
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 A2a


(Homo sapiens (Human))
BDBM50377502
PNG
(CHEMBL406315)
Show SMILES CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1
Show InChI InChI=1S/C12H12N4S2/c1-7-6-18-11(13-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50377502
PNG
(CHEMBL406315)
Show SMILES CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1
Show InChI InChI=1S/C12H12N4S2/c1-7-6-18-11(13-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
303n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50377502
PNG
(CHEMBL406315)
Show SMILES CN(C)c1nc(-c2nc(C)cs2)c2sccc2n1
Show InChI InChI=1S/C12H12N4S2/c1-7-6-18-11(13-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 2920-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P
More data for this
Ligand-Target Pair