BDBM50240039 CHEBI:16794::CHEMBL569713

SMILES CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4

InChI Key InChIKey=STECJAGHUSJQJN-UHFFFAOYSA-N

Data  2 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50240039   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50240039(CHEMBL569713 | CHEBI:16794)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50240039(CHEMBL569713 | CHEBI:16794)
Affinity DataKd:  5.92E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor DM1(Fruit fly)
University of California

Curated by ChEMBL
LigandPNGBDBM50240039(CHEMBL569713 | CHEBI:16794)
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor DM1(Fruit fly)
University of California

Curated by ChEMBL
LigandPNGBDBM50240039(CHEMBL569713 | CHEBI:16794)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed