BDBM50384430 CHEMBL2031493::US9896452, Example 12

SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2ccccc2o1)C(=O)c1nc(C)sc1-c1ccccc1

InChI Key InChIKey=DOCDYUJINMSGRS-UHFFFAOYSA-N

Data  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50384430   

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 447nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 6nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 447nMAssay Description:Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 6nMAssay Description:Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 4nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2020
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50384430(CHEMBL2031493 | US9896452, Example 12)
Affinity DataIC50: 450nMAssay Description:Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2020
Entry Details
Go to US Patent