Compile Data Set for Download or QSAR

Found 23 hits of Enzyme Inhibition Constant Data   

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

Curated by ChEMBL
LigandPNGBDBM50119341((R)-3-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phe...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119336(2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexa...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119349((R)-2-cyclobutyl-2-((3S,4S)-3-phenyl-4-((4-(3-phen...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
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:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119321(1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119342((R)-2-cyclopentyl-2-((3S,4S)-3-phenyl-4-((4-(3-phe...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119343(2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hex...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119343(2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hex...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119333((R)-3-methyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpr...)copy SMILEScopy InChI
Affinity DataIC50: 0.700nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119337((R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)pip...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119331(1-[1-(1-cyclohexyl-2-hydroxyethyl)-4-phenyltetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119347((R)-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-p...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119332(1-[1-(1-cyclohexyl-2-hydroxyethyl)-4-phenyltetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119345((R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)pip...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119335((R)-2-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phe...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119339((R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)pip...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119334(CHEMBL101333 | Cyclohexyl-{(S)-3-[4-hydroxy-4-(3-p...)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119344((S)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119348((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119346((S)-2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phe...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119340(2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperid...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119329(CHEMBL322232 | Cyclohexyl-{3-[4-hydroxy-4-(3-pheny...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119330((R)-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MK6C71PubMed
* indicates data uncertainty>20%