Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 9' and Ligand = 'BDBM50178717'   

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))	BDBM50178717 (CHEMBL3815007) Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(cc23)C#N)C(O)=O)cn1 Show InChI InChI=1S/C20H19N3O2/c1-20(2,3)18-7-5-14(11-22-18)12-23-16-8-13(10-21)4-6-15(16)9-17(23)19(24)25/h4-9,11H,12H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	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
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