BDBM50368792 CHEMBL4167502

SMILES Nc1nc(NCCCCCN(CC#C)C(=O)c2ccc(cc2)S(F)(=O)=O)nc2nc(nn12)-c1ccco1

InChI Key InChIKey=KGDQUCQGDCWHAI-UHFFFAOYSA-N

Data  2 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50368792   

TargetAdenosine receptor A2a(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50368792(CHEMBL4167502)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 3 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50368792(CHEMBL4167502)
Affinity DataKi:  3.90nMAssay Description:Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 0.5 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50368792(CHEMBL4167502)
Affinity DataEC50:  794nMAssay Description:Photoaffinity labelling of purified human A2AR (1 to 316 residues) by SDS-PAGE analaysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed