BDBM50269656 CHEMBL4076262

SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1)ccc3OC

InChI Key InChIKey=TYARCINDRAOWII-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50269656   

TargetOrexin receptor type 2(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50269656(CHEMBL4076262)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2020
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50269656(CHEMBL4076262)
Affinity DataKi:  849nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2020
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50269656(CHEMBL4076262)
Affinity DataKi:  849nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50269656(CHEMBL4076262)
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed