BDBM50252756 (2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL522856

SMILES O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12

InChI Key InChIKey=YPCLFHBYRDLMJY-AXAPSJFSSA-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 = 50252756   

TargetAdenosine receptor A3(Rat)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50252756((2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...)
Affinity DataKi:  6.30nMAssay Description:Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50252756((2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...)
Affinity DataKi:  6.80nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50252756((2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...)
Affinity DataKi:  420nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50252756((2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...)
Affinity DataKi:  790nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed