Compile Data Set for Download or QSAR

Found 25 hits of Enzyme Inhibition Constant Data   

TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121838((R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3...)copy SMILEScopy InChI
Affinity DataIC50: 0.0600nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119338((R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-pheny...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121836((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121833((R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121828((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121819((R)-2-[(S)-3-{4-[3-(4-Cyano-phenyl)-propyl]-piperi...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121818((R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121829((R)-Cyclohexyl-((3S,4S)-3-{4-[3,3-difluoro-3-(4-fl...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121837((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121831((R)-3-Cyclobutyl-2-[(S)-3-{4-[2-(4-fluoro-benzenes...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121831((R)-3-Cyclobutyl-2-[(S)-3-{4-[2-(4-fluoro-benzenes...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121835(2-[(S)-3-{4-[3,3-Difluoro-3-(4-fluoro-phenyl)-prop...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121832((R)-3-Cyclobutyl-2-{(S)-3-(3-fluoro-phenyl)-4-[4-(...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121840((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121824((R)-2-((S)-3-(3-Fluoro-phenyl)-4-{4-[2-(4-fluoro-p...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121822((R)-2-[(S)-3-{4-[2-(4-Fluoro-benzenesulfonyl)-ethy...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121827((R)-Cyclohexyl-[(3S,4S)-3-{4-[2-(4-fluoro-benzenes...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121825((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121826((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121834((R)-Cyclohexyl-((3S,4S)-3-{4-[3-(4-fluoro-phenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121823(3-Cyclopropyl-2-[(3S,4S)-3-((R)-3-fluoro-phenyl)-4...)copy SMILEScopy InChI
Affinity DataIC50: 3.70nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121841((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)copy SMILEScopy InChI
Affinity DataIC50: 4.80nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121821(3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121839(4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)...)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121820(3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CN7382PubMed
* indicates data uncertainty>20%