Compile Data Set for Download or QSAR

Found 26 hits of Enzyme Inhibition Constant Data   

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

Curated by ChEMBL
LigandPNGBDBM50192278((2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of NK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50191814((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of NK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50191813((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of CCR5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192275((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)copy SMILEScopy InChI
Affinity DataIC50: 45nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50191813((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of NK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50191814((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)copy SMILEScopy InChI
Affinity DataIC50: 59nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192278((2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 72nMAssay Description:Inhibition of CCR5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50191813((2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192270((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192271(CHEMBL211092 | trans-(S)-N-(3,5-bis(trifluoromethy...)copy SMILEScopy InChI
Affinity DataIC50: 140nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192278((2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192266((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50187053((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50187048((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-phenyl-2-...)copy SMILEScopy InChI
Affinity DataIC50: 220nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192265((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-...)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192274((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-...)copy SMILEScopy InChI
Affinity DataIC50: 440nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192269(CHEMBL379742 | cis-(S)-N-(3,5-bis(trifluoromethyl)...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50187037((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimet...)copy SMILEScopy InChI
Affinity DataIC50: 720nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192273((2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 780nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50187052((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-phenyl-2-...)copy SMILEScopy InChI
Affinity DataIC50: 830nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192267((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 930nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192272((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192268((R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 1.07E+3nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192279((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192276((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluoro...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50192277((2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluor...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ329MPubMed
* indicates data uncertainty>20%