BDBM50337620 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)methanone::CHEMBL1683075

SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F

InChI Key InChIKey=YJGRIVQJUHTIGN-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50337620   

TargetC-C chemokine receptor type 2(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 11nMAssay Description:Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 17nMAssay 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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 8.90nMAssay 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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 35nMAssay Description:Displacement of labeled MIP-1beta from human CCR5 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 4.90E+3nMAssay Description:Displacement of labeled dofetilide from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 8.5nMAssay 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 Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Incyte

Curated by ChEMBL
LigandPNGBDBM50337620(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)
Affinity DataIC50: 18.2nMAssay Description:Antagonist activity at human CCR2 by whole blood assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed