BDBM50337619 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine::CHEMBL1683074

SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F

InChI Key InChIKey=DQWSENNLMPJNRJ-UHFFFAOYSA-N

Data  17 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50337619   

TargetCytochrome P450 3A4(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3.90nMAssay Description:Antagonist activity at human CCR2 by whole blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3nMAssay Description:Displacement of [125I]MCP1 from human CCR2 preincubated for 30 mins by human whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3.20nMAssay Description:Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 1.70E+3nMAssay Description:Displacement of labeled dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 1.70E+3nMAssay Description:Displacement of dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3nMAssay Description:Displacement of [125I]MCP1 from human CCR2 by human whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 5.30nMAssay Description:Displacement of labeled MIP-1beta from human CCR5 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 5(Mouse)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 71nMAssay Description:Binding affinity to mouse CCR5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Rat)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 2.90nMAssay Description:Binding affinity to rat CCR2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Mouse)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 2.80nMAssay Description:Binding affinity to mouse CCR2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 4.30nMAssay Description:Displacement of labeled MIP-1beta from human CCR5 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3.20nMAssay Description:Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3.90nMAssay Description:Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50337619(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)
Affinity DataIC50: 3nMAssay Description:Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed