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BDBM50360193 CHEMBL1927633

SMILES: O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1

InChI Key: InChIKey=HZRPPZVAFJLQIQ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50360193   
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))
BDBM50360193
PNG
(CHEMBL1927633)
Show SMILES O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C15H10N6O3/c22-12(9-5-2-1-3-6-9)17-14-19-15(23)18-13-16-11(20-21(13)14)10-7-4-8-24-10/h1-8H,(H2,16,17,18,19,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
1.75E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50360193
PNG
(CHEMBL1927633)
Show SMILES O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C15H10N6O3/c22-12(9-5-2-1-3-6-9)17-14-19-15(23)18-13-16-11(20-21(13)14)10-7-4-8-24-10/h1-8H,(H2,16,17,18,19,20,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...


J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair