BDBM50527843 CHEMBL4537118

SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(Cl)s1

InChI Key InChIKey=HPAHZCBKRSEDHH-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50527843   

TargetTranslocator protein(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527843(CHEMBL4537118)
Affinity DataKi:  50nMAssay Description:Inhibition of TSPO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527843(CHEMBL4537118)
Affinity DataKi:  58nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527843(CHEMBL4537118)
Affinity DataKi:  531nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed