BDBM50651251 CHEMBL5633824

SMILES CSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(I)nc31)[C@H](O)[C@@H]2O

InChI Key

  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 2 hits for monomerid = 50651251   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50651251(CHEMBL5633824)
Affinity DataKi:  93nMAssay Description:Displacement of [3H]-CGS21680 from human A3AR expressed in HEK cells assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50651251(CHEMBL5633824)
Affinity DataKi:  1.35E+3nMAssay Description:Displacement of [3H]-mesulergine from human A1AR expressed in Flp-In-T-REx-293 cells assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed