BDBM50315994 CHEMBL1091604::N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phenylsulfonylmethyl)cyclohexylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1

InChI Key InChIKey=KUXXGWVHTMGCMA-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50315994   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2016
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 0.800nMT: 2°CAssay Description:Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperatureMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2016
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 1.30nMAssay Description:Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERG by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 1.30nMAssay Description:Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albuminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 0.800nMAssay Description:Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50315994(N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phe...)
Affinity DataIC50: 0.800nMAssay Description:Displacement of [125I]MCP-1 from CCR2 in human PMBCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed