Compile Data Set for Download or QSAR

Found 16 hits of Enzyme Inhibition Constant Data   

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

Curated by ChEMBL
LigandPNGBDBM50110088(4N-allyl-4N-[4-nitrobenzyloxycarboyl]-1-[4'-phenyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.130nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105544(Allyl-[1-((3S,4S)-1-cyclohexanecarbonyl-4-phenyl-p...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110086(Allyl-[1-((2S,3aS,4S,5S)-2,4-diphenyl-hexahydro-py...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110096(1-benzyloxycarbonyl(ethyl)1-[4'-phenyl-(3a'S,4'S,5...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110099((2S,3aS,4S,5S)-2,4-Diphenyl-5-[4-(3-phenyl-propyl)...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110092(Allyl-[1-((2S,3aS,4S,5S)-2,5-diphenyl-hexahydro-py...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110093(1-phenyl-3-{1-[4'-phenyl-(3a'S,4'S,5'S)-spiro[cycl...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110095((2S,3aS,4S,5S)-2,5-Diphenyl-4-[4-(3-phenyl-propyl)...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110097(4-nitrobenzyl allyl(1-(((3a'S,4'S,5'S)-5'-phenylte...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110090((2S,3aS,4S,5S)-2,4-Diphenyl-5-(4-phenyl-piperidin-...)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110087((2S,3aS,4S,5S)-2,5-Diphenyl-4-(4-phenyl-piperidin-...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110098((3a'S,4'S,5'S)-5'-phenyl-4'-((4-phenylpiperidin-1-...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110091(4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-pe...)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110100(CHEMBL158438 | [1-((2S,3aS,4S,5S)-2,5-Diphenyl-hex...)copy SMILEScopy InChI
Affinity DataIC50: 46nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110094(1-phenyl-3-{1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cycl...)copy SMILEScopy InChI
Affinity DataIC50: 69nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110089(4N-ethyl-4N-[benzyloxycarbonyl]-1-[5'-phenyl-(3a'S...)copy SMILEScopy InChI
Affinity DataIC50: 86nMAssay Description:Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6QHHPubMed
* indicates data uncertainty>20%