BDBM50139773 CHEMBL3765379::US10138212, Example 101

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

InChI Key InChIKey=GVEURWJFYNZAPS-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50139773   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139773(CHEMBL3765379 | US10138212, Example 101)
Affinity DataKi:  0.200nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139773(CHEMBL3765379 | US10138212, Example 101)
Affinity DataKi:  0.200nMAssay 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 DepthDetails US Patent
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139773(CHEMBL3765379 | US10138212, Example 101)
Affinity DataKi:  2.90nMAssay Description:Binding affinity to rat A2A adenosine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139773(CHEMBL3765379 | US10138212, Example 101)
Affinity DataKi:  20nMAssay 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 DepthDetails ArticlePubMed