Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9' and Ligand = 'BDBM50113356'   

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))	BDBM50113356 (CHEMBL3604491) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(NCCO)ncc1O Show InChI InChI=1S/C22H25ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-19(29)13-25-21(26-20)24-10-11-28/h4-9,12-13,27-29H,10-11H2,1-3H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	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