BDBM50113360 CHEMBL3604495

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O

InChI Key: InChIKey=FQXQNROKDODNHX-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 = 50113360   

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))	BDBM50113360 (CHEMBL3604495) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	325	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))	BDBM50113360 (CHEMBL3604495) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncnc(CO)c1O Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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