BDBM50139767 CHEMBL3763199::US10138212, Example 92

SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(c2n1)C(F)(F)F

InChI Key InChIKey=VNFYEAXYLYCUEQ-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50139767   

TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139767(CHEMBL3763199 | US10138212, Example 92)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139767(CHEMBL3763199 | US10138212, Example 92)
Affinity DataKi:  2.30nMAssay Description:Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent

TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139767(CHEMBL3763199 | US10138212, Example 92)
Affinity DataKi:  57nMAssay Description:Binding affinity to rat A2A adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139767(CHEMBL3763199 | US10138212, Example 92)
Affinity DataKi:  1.30E+3nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed