BDBM50113443 CHEMBL3604484

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1

InChI Key: InChIKey=RNVKRMMOXPZWOH-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 = 50113443   

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))	BDBM50113443 (CHEMBL3604484) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1 Show InChI InChI=1S/C20H20ClN3O2S/c1-20(2,3)14-5-8-16(9-6-14)27(25,26)24-18-10-7-15(21)13-17(18)19-22-11-4-12-23-19/h4-13,24H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	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