BDBM50113358 CHEMBL3604493

SMILES: CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=VTVMCXDMLDRMML-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50113358   

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))	BDBM50113358 (CHEMBL3604493) Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	105	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) by buffer chemotaxis assay				Bioorg Med Chem Lett 25: 3661-4 (2015) BindingDB Entry DOI: 10.7270/Q2RR2123
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50113358 (CHEMBL3604493) Show SMILES CN(C)c1ncnc(c1O)-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN4O3S/c1-22(2,3)14-6-9-16(10-7-14)31(29,30)26-18-11-8-15(23)12-17(18)19-20(28)21(27(4)5)25-13-24-19/h6-13,26,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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