Compile Data Set for Download or QSAR

Found 20 hits of Enzyme Inhibition Constant Data   

TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069650(5-({[(S)-2-(3-tert-Butyl-5-methyl-benzyloxy)-1-phe...)copy SMILEScopy InChI
Affinity DataIC50: 0.420nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069642(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)copy SMILEScopy InChI
Affinity DataIC50: 0.430nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069659(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069647(CHEMBL152742 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 1.40nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069656(5-({[(S)-2-(3,5-Dichloro-benzyloxy)-1-phenyl-ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069646(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069658(5-({[(S)-2-(3-Chloro-5-methyl-benzyloxy)-1-phenyl-...)copy SMILEScopy InChI
Affinity DataIC50: 2.20nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069643(5-{[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-ph...)copy SMILEScopy InChI
Affinity DataIC50: 2.40nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069649(CHEMBL358409 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069657(2-{[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-ph...)copy SMILEScopy InChI
Affinity DataIC50: 5.80nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069644(2-[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phe...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069655(CHEMBL152339 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069654(CHEMBL345315 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069648((S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069652(CHEMBL152316 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069645(CHEMBL358932 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069651(CHEMBL433539 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069653(CHEMBL155218 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069642(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity for Tachykinin receptor 2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50069642(5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-p...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity for Tachykinin receptor 3More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q23ZCGPubMed
* indicates data uncertainty>20%