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BDBM50210798 CHEMBL3930969

SMILES: Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1

InChI Key: InChIKey=QMWYYSGDEGNNOR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50210798   
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))
BDBM50210798
PNG
(CHEMBL3930969)
Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210798
PNG
(CHEMBL3930969)
Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair