Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9' and Ligand = 'BDBM393530'   

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 (Homo sapiens (Human))	BDBM393530 (US9969687, Compound 194) Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	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
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393530 (US9969687, Compound 194) Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	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
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393530 (US9969687, Compound 194) Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393530 (US9969687, Compound 194) Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	113	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