BDBM50628407 CHEMBL5399921

SMILES CNc1nc(NCCc2ccc(O)cc2)nc2n([C@@H]3SC[C@@H](O)[C@H]3O)c(nc12)-c1ccco1

InChI Key InChIKey=DHICLAZXDLRRFW-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 = 50628407   

TargetAdenosine receptor A3(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50628407(CHEMBL5399921)
Affinity DataKi:  445nMAssay Description:Displacement of I-AB-MEC from human A3AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by gamma counter analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50628407(CHEMBL5399921)
Affinity DataKi:  468nMAssay Description:Displacement of CGS2168 from recombinant human A2AAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by liqui...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAdenosine receptor A2b(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50628407(CHEMBL5399921)
Affinity DataKi:  713nMAssay Description:Displacement of DPCPX from recombinant human A2BAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 30 mins by beta sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50628407(CHEMBL5399921)
Affinity DataKi:  5.33E+3nMAssay Description:Displacement of R-PIA from human A1AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed