BindingDB PrimarySearch

null

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

InChI Key: InChIKey=JRWROCIMSDXGOZ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50398334
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...				Bioorg Med Chem Lett 25: 3661-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.046 BindingDB Entry DOI: 10.7270/Q2RR2123
Cubist Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay				Bioorg Med Chem Lett 25: 3661-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.046 BindingDB Entry DOI: 10.7270/Q2RR2123
Cubist Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay				Bioorg Med Chem Lett 25: 3661-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.046 BindingDB Entry DOI: 10.7270/Q2RR2123
Cubist Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...				Bioorg Med Chem Lett 26: 3322-3325 (2016) Article DOI: 10.1016/j.bmcl.2016.05.043 BindingDB Entry DOI: 10.7270/Q2PZ5BQX
Cubist Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Antagonist activity at CCR9 assessed as inhibition of CCL25-induced chemotaxis by cell based assay				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
National Heart and Lung Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR9B expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins fol...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111805 BindingDB Entry DOI: 10.7270/Q2J67M6F
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Norgine Ltd Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...				J Med Chem 59: 3098-111 (2016) Article DOI: 10.1021/acs.jmedchem.5b01840 BindingDB Entry DOI: 10.7270/Q28918WJ
Norgine Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Norgine Ltd Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed C...				J Med Chem 59: 3098-111 (2016) Article DOI: 10.1021/acs.jmedchem.5b01840 BindingDB Entry DOI: 10.7270/Q28918WJ
Norgine Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Norgine Ltd Curated by ChEMBL					Assay Description Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...				J Med Chem 59: 3098-111 (2016) Article DOI: 10.1021/acs.jmedchem.5b01840 BindingDB Entry DOI: 10.7270/Q28918WJ
Norgine Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR9A expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins fol...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111805 BindingDB Entry DOI: 10.7270/Q2J67M6F
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to CCR9				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
National Heart and Lung Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)