BDBM50503604 Naldemedine::S-297995

SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1

InChI Key InChIKey=AXQACEQYCPKDMV-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50503604   

TargetDelta-type opioid receptor(Human)
Shionogi

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50503604BDBM50503604(Naldemedine | S-297995)
Affinity DataKi:  0.910nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Shionogi

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50503604BDBM50503604(Naldemedine | S-297995)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed