Compile Data Set for Download or QSAR
Report error Found 94 Enz. Inhib. hit(s) with all data for entry = 50046053
TargetCytochrome P450 1A2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092812(CHEMBL3586433)
Affinity DataIC50: 3.10E+3nMAssay 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
LigandPNGBDBM50092812(CHEMBL3586433)
Affinity DataIC50: 6.00E+3nMAssay 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
LigandPNGBDBM50097360(CHEMBL3586440)
Affinity DataIC50: 6.90E+3nMAssay 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
LigandPNGBDBM50097392(CHEMBL3586441)
Affinity DataIC50: 8.10E+3nMAssay 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
LigandPNGBDBM50092813(CHEMBL3586434)
Affinity DataIC50: 9.30E+3nMAssay 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 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
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
LigandPNGBDBM50097374(CHEMBL3586439)
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
LigandPNGBDBM50097379(CHEMBL3586437)
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
LigandPNGBDBM50092813(CHEMBL3586434)
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 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
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
LigandPNGBDBM50097376(CHEMBL3586435)
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 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 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
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
LigandPNGBDBM50097388(CHEMBL3586426)
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
LigandPNGBDBM50097380(CHEMBL3586432)
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
TargetOrexin receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  0.5nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...More 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
LigandPNGBDBM50097380(CHEMBL3586432)
Affinity DataKi:  2nMAssay 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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50412863(JNJ-10397049 | CHEMBL359632)
Affinity DataKi:  5nMAssay Description:Displacement of [125I]-orexin A from OX2 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysisMore 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
LigandPNGBDBM50097388(CHEMBL3586426)
Affinity DataKi:  7nMAssay 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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097360(CHEMBL3586440)
Affinity DataKi:  8nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097388(CHEMBL3586426)
Affinity DataKi:  9.80nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092813(CHEMBL3586434)
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
LigandPNGBDBM50092812(CHEMBL3586433)
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 receptor type 2(Human)
TBA

Curated by ChEMBL
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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097380(CHEMBL3586432)
Affinity DataKi:  12nMAssay 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
LigandPNGBDBM50097360(CHEMBL3586440)
Affinity DataKi:  12nMAssay 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 receptor type 2(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50092813(CHEMBL3586434)
Affinity DataKi:  14nMAssay 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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092812(CHEMBL3586433)
Affinity DataKi:  14nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092810(CHEMBL3586412)
Affinity DataKi:  25nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097384(CHEMBL3586430)
Affinity DataKi:  27nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097379(CHEMBL3586437)
Affinity DataKi:  30nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097376(CHEMBL3586435)
Affinity DataKi:  30nMAssay 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
LigandPNGBDBM50097392(CHEMBL3586441)
Affinity DataKi:  38nMAssay 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 receptor type 2(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50097379(CHEMBL3586437)
Affinity DataKi:  39nMAssay 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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097381(CHEMBL3586431)
Affinity DataKi:  41nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097392(CHEMBL3586441)
Affinity DataKi:  46nMAssay 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
LigandPNGBDBM50092811(CHEMBL3586442)
Affinity DataKi:  51nMAssay 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 receptor type 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097387(CHEMBL3586427)
Affinity DataKi:  51nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097374(CHEMBL3586439)
Affinity DataKi:  54nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092811(CHEMBL3586442)
Affinity DataKi:  77nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097385(CHEMBL3586425)
Affinity DataKi:  106nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097377(CHEMBL3586438)
Affinity DataKi:  120nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092819(CHEMBL3586420)
Affinity DataKi:  137nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097383(CHEMBL3586428)
Affinity DataKi:  141nMAssay 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(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50097382(CHEMBL3586429)
Affinity DataKi:  180nMAssay 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/Hypocretin receptor type 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50092810(CHEMBL3586412)
Affinity DataKi:  216nMAssay Description:Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed
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