BDBM50230155 CHEMBL4094746::US10377763, Example 27

SMILES CCCCS(=O)(=O)N1CC[C@]23c4c5ccc(OC)c4O[C@H]2[C@H](N(C)C(=O)/C=C/c2ccoc2)CC[C@@]3(O)[C@H]1C5

InChI Key InChIKey=KRELBKNKKUYLQW-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230155   

TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50230155BDBM50230155(CHEMBL4094746 | US10377763, Example 27)
Affinity DataKi:  5.90nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50230155BDBM50230155(CHEMBL4094746 | US10377763, Example 27)
Affinity DataIC50: 87.8nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
University of Tsukuba

US Patent
LigandChemical structure of BindingDB Monomer ID 50230155BDBM50230155(CHEMBL4094746 | US10377763, Example 27)
Affinity DataIC50: 1.00E+4nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
US Patent