BDBM50113355 CHEMBL3604490

SMILES: CNc1ncc(O)c(n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=QFDRLGQAXOIUHN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113355   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50113355 (CHEMBL3604490) Show SMILES CNc1ncc(O)c(n1)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O3S/c1-21(2,3)13-5-8-15(9-6-13)30(28,29)26-17-10-7-14(22)11-16(17)19-18(27)12-24-20(23-4)25-19/h5-12,26-27H,1-4H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	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) BindingDB Entry DOI: 10.7270/Q2RR2123
					More data for this Ligand-Target Pair