BDBM118454 US11059828, Example 382::US11667644, Example 107::US20240208981, Compound Seltorexant::US8653263, 107::US9586962, Example 107::USRE48841, Example 107

SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key InChIKey=SQOCEMCKYDVLMM-UHFFFAOYSA-N

Data  20 KI  4 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 24 hits for monomerid = 118454   

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nMAssay Description:The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2014
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2022
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nM ΔG°:  -11.0kcal/moleT: 2°CAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2022
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]EMPA from human orexin-2 receptor expressed in HEK293 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  9nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2023
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  14nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2023
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  14nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2022
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  14nM ΔG°:  -10.7kcal/moleT: 2°CAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  14nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2022
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  854nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2023
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  854nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2022
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  854nM ΔG°:  -8.27kcal/moleT: 2°CAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  854nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2022
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  868nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2022
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  868nM ΔG°:  -8.26kcal/moleT: 2°CAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  868nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2022
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  868nMAssay Description:The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2014
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  868nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2023
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataKi:  1.28E+3nMAssay Description:Displacement of [3H]-(l-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-l-((S)-2-(5-phenyl-(l,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-l-yl)-methanone from h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Hansoh Biomedical

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataIC50: 9.10E+3nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Shanghai Hansoh Biomedical

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataIC50: 4.63E+4nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Shanghai Hansoh Biomedical

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataIC50: 6.16E+4nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Shanghai Hansoh Biomedical

US Patent
LigandPNGBDBM118454(US8653263, 107 | US9586962, Example 107 | USRE4884...)
Affinity DataIC50: 1.00E+5nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
US Patent