BDBM50236800 CHEMBL4100818

SMILES: CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cccc(Br)c2)CC1

InChI Key: InChIKey=DWXNTRPXHMRBJM-UHFFFAOYSA-N

Data: 1 KI

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 = 50236800   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50236800 (CHEMBL4100818) Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cccc(Br)c2)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-9-11-23(12-10-22)14-16-15-24(20-8-3-2-7-19(16)20)27(25,26)18-6-4-5-17(21)13-18/h2-8,13,15H,9-12,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, by activation of human A3AR receptor				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair