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BDBM50376964 CHEMBL265212

SMILES: CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1

InChI Key: InChIKey=RBSGLFFQVXTHGI-UHFFFAOYSA-N

Data: 3 KI

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 = 50376964   
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 A2b


(Homo sapiens (Human))
BDBM50376964
PNG
(CHEMBL265212)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-26-19(27)16-18(25(4-2)20(26)28)23-17(22-16)15-11-21-24(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23)
NCI pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50376964
PNG
(CHEMBL265212)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-26-19(27)16-18(25(4-2)20(26)28)23-17(22-16)15-11-21-24(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
261n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50376964
PNG
(CHEMBL265212)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-26-19(27)16-18(25(4-2)20(26)28)23-17(22-16)15-11-21-24(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
275n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair