Compile Data Set for Download or QSAR

Found 33 hits of Enzyme Inhibition Constant Data   

TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218239((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.0600nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218225(1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...)copy SMILEScopy InChI
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218240(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218213(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218224(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218220(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218235(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218220(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218212((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218217((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.110nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218227(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.110nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218226(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.110nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218230(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)copy SMILEScopy InChI
Affinity DataIC50: 0.120nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218231(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.120nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218233((S)-5-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)p...)copy SMILEScopy InChI
Affinity DataIC50: 0.120nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218234(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.130nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218222(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.130nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218218((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.140nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218221(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.150nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218232(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.160nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218215(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)copy SMILEScopy InChI
Affinity DataIC50: 0.160nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218216(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.180nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218228(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.180nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218214((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.240nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218237(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218229(1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218237(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218219((S)-4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)p...)copy SMILEScopy InChI
Affinity DataIC50: 0.340nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218236((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)copy SMILEScopy InChI
Affinity DataIC50: 0.380nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218223(((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...)copy SMILEScopy InChI
Affinity DataIC50: 0.470nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218238((3S,4R)-N-((2H-1,2,3-triazol-4-yl)methyl)-3-((R)-1...)copy SMILEScopy InChI
Affinity DataIC50: 0.580nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218227(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 1.73E+3nMAssay Description:Binding affinity to NK2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Merck & Co. Inc.

Curated by ChEMBL
LigandPNGBDBM50218227(3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Binding affinity to NK3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GT5MW7PubMed
* indicates data uncertainty>20%