Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 9   (308/319 = 97%)† (Homo sapiens (Human))	BDBM50398334 (CHEMBL2178578) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: