BDBM50398334 CHEMBL2178578

SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1

InChI Key InChIKey=JRWROCIMSDXGOZ-UHFFFAOYSA-N

Data  3 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50398334   

TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 10nMAssay Description:Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 539nMAssay Description:Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 11nMAssay Description:Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 5nMAssay Description:Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 2.80nMAssay Description:Antagonist activity at CCR9 assessed as inhibition of CCL25-induced chemotaxis by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 6nMAssay Description:Binding affinity to CCR9More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 2.80nMAssay Description:Antagonist activity at recombinant human CCR9A expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataIC50: 2.60nMAssay Description:Antagonist activity at recombinant human CCR9B expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataKi:  1.10nMAssay Description:Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataKi:  3.70nMAssay Description:Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-C chemokine receptor type 9(Human)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50398334(CHEMBL2178578)
Affinity DataKi:  10nMAssay Description:Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)