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BDBM50140312 CHEMBL3754167

SMILES: Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1

InChI Key: InChIKey=VIBAFZDZRHJJRN-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 = 50140312   
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 A1


(Rattus norvegicus (rat))
BDBM50140312
PNG
(CHEMBL3754167)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50140312
PNG
(CHEMBL3754167)
Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 734-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.004
BindingDB Entry DOI: 10.7270/Q2SX6G21
More data for this
Ligand-Target Pair