BDBM50651252 CHEMBL5631700

SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(I)nc31)[C@H](O)[C@@H]2O

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50651252   

TargetTranslocator protein(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50651252(CHEMBL5631700)
Affinity DataKi:  2.10nMAssay Description:Binding affinity to TSPO (unknown origin) 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
LigandPNGBDBM50651252(CHEMBL5631700)
Affinity DataKi:  204nMAssay 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
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50651252(CHEMBL5631700)
Affinity DataKi:  3.43E+4nMAssay 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