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BDBM50156632 (7RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo-[1,5-a]pyrimidin-5-yl)octahydropyrido[1,2-a]pyrazin-7-yl]methanol::CHEMBL374800

SMILES: Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1

InChI Key: InChIKey=NQHNXCOAFMEGDZ-STQMWFEESA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156632   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156632
PNG
((7RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo...)
Show SMILES Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
Show InChI InChI=1S/C18H23N7O2/c19-15-8-16(20-18-21-17(22-25(15)18)14-2-1-7-27-14)24-6-5-23-9-12(11-26)3-4-13(23)10-24/h1-2,7-8,12-13,26H,3-6,9-11,19H2/t12-,13-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50156632
PNG
((7RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo...)
Show SMILES Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
Show InChI InChI=1S/C18H23N7O2/c19-15-8-16(20-18-21-17(22-25(15)18)14-2-1-7-27-14)24-6-5-23-9-12(11-26)3-4-13(23)10-24/h1-2,7-8,12-13,26H,3-6,9-11,19H2/t12-,13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair