BDBM50139770 CHEMBL3763571::US10138212, Example 100

SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C#N)c2n1

InChI Key InChIKey=YACYXBXLISLWRE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50139770   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50139770(CHEMBL3763571 | US10138212, Example 100)
Affinity DataKi:  2.10nMAssay 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(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50139770(CHEMBL3763571 | US10138212, Example 100)
Affinity DataKi:  24nMAssay 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 A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139770(CHEMBL3763571 | US10138212, Example 100)
Affinity DataKi:  337nMAssay 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