BDBM50251729 6-(2-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole::CHEMBL479548

SMILES: COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12

InChI Key: InChIKey=PBVVAYNTOZMIGX-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50251729   

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 2C (Homo sapiens (Human))	BDBM50251729 (6-(2-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroa...) Show SMILES COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C19H20N2O3S/c1-24-18-8-4-5-9-19(18)25(22,23)21-16-7-3-2-6-14(16)15-10-12-20-13-11-17(15)21/h2-9,20H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of 5HT2C (unknown origin)				Bioorg Med Chem Lett 18: 3929-31 (2008) Article DOI: 10.1016/j.bmcl.2008.06.030 BindingDB Entry DOI: 10.7270/Q2959HCP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50251729 (6-(2-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroa...) Show SMILES COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C19H20N2O3S/c1-24-18-8-4-5-9-19(18)25(22,23)21-16-7-3-2-6-14(16)15-10-12-20-13-11-17(15)21/h2-9,20H,10-13H2,1H3	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 18: 3929-31 (2008) Article DOI: 10.1016/j.bmcl.2008.06.030 BindingDB Entry DOI: 10.7270/Q2959HCP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50251729 (6-(2-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroa...) Show SMILES COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12 Show InChI InChI=1S/C19H20N2O3S/c1-24-18-8-4-5-9-19(18)25(22,23)21-16-7-3-2-6-14(16)15-10-12-20-13-11-17(15)21/h2-9,20H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at cloned human 5HT6 receptor expressed in HeLa cells assessed as production of cAMP				Bioorg Med Chem Lett 18: 3929-31 (2008) Article DOI: 10.1016/j.bmcl.2008.06.030 BindingDB Entry DOI: 10.7270/Q2959HCP
					More data for this Ligand-Target Pair