BDBM50315022 (R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide::CHEMBL1093802

SMILES Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1

InChI Key InChIKey=RMNQHMQKUFGTQZ-UHFFFAOYSA-N

Data  17 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 17 hits for monomerid = 50315022   

TargetCytochrome P450 2C9(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C9 by P450-Glo methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of dopamine D2 (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5HT7 (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5HT2C (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5HT2A (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5HT1A (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 by P450-Glo methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6 by P450-Glo methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C19 by P450-Glo methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.88E+3nMAssay Description:Displacement of [125I]MCP1 from human CCR2B receptor expressed in HEK293-EBNA cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP1A2 by P450-Glo methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]astemizole from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 100nMAssay Description:Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of MCP1-induced chemotaxis after 1 hr by crystal violet stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of dopamine D4 (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of 5HT6 (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of dopamine D3 (receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetC-C chemokine receptor type 2(Human)
Yangji Chemicals

Curated by ChEMBL
LigandPNGBDBM50315022((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Affinity DataIC50: 2.60nMAssay Description:Antagonist activity at human CCR2B receptor expressed in HEK293 cells assessed as inhibition of MCP1-induced increase in intracellular calcium levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed