Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9' and Ligand = 'BDBM393531'   

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))	BDBM393531 (US9969687, Compound 195) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cncc(c3)C#N)C(=O)c12 Show InChI InChI=1S/C25H21ClN4O4S/c1-25(2,3)17-4-6-18(7-5-17)35(33,34)29-20-9-8-19(26)21-22(20)24(32)30(23(21)31)14-16-10-15(11-27)12-28-13-16/h4-10,12-13,29H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	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))	BDBM393531 (US9969687, Compound 195) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cncc(c3)C#N)C(=O)c12 Show InChI InChI=1S/C25H21ClN4O4S/c1-25(2,3)17-4-6-18(7-5-17)35(33,34)29-20-9-8-19(26)21-22(20)24(32)30(23(21)31)14-16-10-15(11-27)12-28-13-16/h4-10,12-13,29H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	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