BDBM50582755 CHEMBL5083565

SMILES [H][C@@]12CC[C@H](O[C@]1([H])[C@H](O)[C@@H](OCc1ccc(F)cc1)[C@@H](O[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O2)c1ccccc1

InChI Key InChIKey=GDEVLXJNDKIZKC-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 = 50582755   

TargetSubstance-P receptor(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50582755(CHEMBL5083565)
Affinity DataKi:  22nMAssay Description:Displacement of [125I]SP from human NK1R expressed in U373 MG cells assessed as inhibitory constant incubated for 30 mins by radioligand binding assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50582755(CHEMBL5083565)
Affinity DataIC50: 50nMAssay Description:Displacement of [125I]SP from human NK1R expressed in U373 MG cells incubated for 30 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50582755(CHEMBL5083565)
Affinity DataIC50: 353nMAssay Description:Antagonist activity at NK1R (unknown origin) in presence of endogenous SP ligand preincubated for 10 mins followed by 30 min incubation with antagoni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed