Compile Data Set for Download or QSAR
maximum 50k data
Found 55 Enz. Inhib. hit(s) with all data for entry = 50021026
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)
Affinity DataIC50:  0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220136(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)
Affinity DataIC50:  46nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
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