BDBM50092814 CHEMBL3586436::US20250188095, Example Seltorexant

SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key InChIKey=SQOCEMCKYDVLMM-UHFFFAOYSA-N

Data  3 KI  9 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 12 hits for monomerid = 50092814   

TargetCytochrome P450 2C8(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Jiangsu Nhwa Pharmaceutical Co.

US Patent
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 650nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2025
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Jiangsu Nhwa Pharmaceutical Co.

US Patent
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataIC50: 5.05E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2025
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Jiangsu Nhwa Pharmaceutical Co.

US Patent
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataKi:  10nMAssay Description:Binding affinity to human OX2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataKi:  10nMAssay Description:Binding affinity to rat OX2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Jiangsu Nhwa Pharmaceutical Co.

US Patent
LigandPNGBDBM50092814(CHEMBL3586436 | US20250188095, Example Seltorexant)
Affinity DataKi:  800nMAssay Description:Binding affinity to human OX1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed