Compile Data Set for Download or QSAR
Report error Found 55 Enz. Inhib. hit(s) with all data for entry = 50021026
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220124(1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.0300nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220132((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.0500nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220121((3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propa...)
Affinity DataIC50: 0.0500nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220118(1-(4-((3R,4S)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220136(CHEMBL1471 | 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluo...)
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220124(1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.170nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220122(1-(4-((3S,4R)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.170nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220132((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.210nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.420nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.420nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220121((3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propa...)
Affinity DataIC50: 0.510nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220135((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 0.580nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220140((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(cycl...)
Affinity DataIC50: 0.680nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220125((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 0.740nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220137((3R,4S)-N3-(3,5-bis(trifluoromethyl)benzyl)-N1-cyc...)
Affinity DataIC50: 0.790nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220134((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 0.840nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220130((3S,4R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.970nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220118(1-(4-((3R,4S)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 2.80nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220138((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 3.40nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220131((3R,4R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 3.70nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220139((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 4.10nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 4.5nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 6nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50: 8nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220128((3R,4S)-tert-butyl 3-((3,5-bis(trifluoromethyl)ben...)
Affinity DataIC50: 11nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220133((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 13nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220122(1-(4-((3S,4R)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 20nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220126((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methy...)
Affinity DataIC50: 24nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220136(CHEMBL1471 | 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluo...)
Affinity DataIC50: 46nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220120((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(cycl...)
Affinity DataIC50: 62nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220129((3R,4S)-tert-butyl 3-((3,5-bis(trifluoromethyl)ben...)
Affinity DataIC50: 142nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220127((3R,4S)-tert-butyl 3-((3,5-bis(trifluoromethyl)ben...)
Affinity DataIC50: 450nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220132((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220118(1-(4-((3R,4S)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220122(1-(4-((3S,4R)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220118(1-(4-((3R,4S)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220121((3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propa...)
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220121((3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propa...)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220132((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 6.90E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220122(1-(4-((3S,4R)-3-(3-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 8.90E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
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