BDBM50172267 1-(3,4-Dimethoxy-benzenesulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole::CHEMBL371886

SMILES: COc1ccc(cc1OC)S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc12

InChI Key: InChIKey=JXWPDTWEQZUZDW-KRWDZBQOSA-N

Data: 1 KI  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 2 hits for monomerid = 50172267   

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))	BDBM50172267 (1-(3,4-Dimethoxy-benzenesulfonyl)-3-((S)-1-methyl-...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc12 Show InChI InChI=1S/C22H26N2O4S/c1-23-12-6-7-17(23)13-16-15-24(20-9-5-4-8-19(16)20)29(25,26)18-10-11-21(27-2)22(14-18)28-3/h4-5,8-11,14-15,17H,6-7,12-13H2,1-3H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4780-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.028 BindingDB Entry DOI: 10.7270/Q2RN37DD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50172267 (1-(3,4-Dimethoxy-benzenesulfonyl)-3-((S)-1-methyl-...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc12 Show InChI InChI=1S/C22H26N2O4S/c1-23-12-6-7-17(23)13-16-15-24(20-9-5-4-8-19(16)20)29(25,26)18-10-11-21(27-2)22(14-18)28-3/h4-5,8-11,14-15,17H,6-7,12-13H2,1-3H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor				Bioorg Med Chem Lett 15: 4780-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.028 BindingDB Entry DOI: 10.7270/Q2RN37DD
					More data for this Ligand-Target Pair