BDBM50396228 CHEMBL2172183::US8569318, 1.2(3)

SMILES: CSc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=SLKVTBZWWJECHL-UHFFFAOYSA-N

Data: 3 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 = 50396228   

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))	BDBM50396228 (CHEMBL2172183 | US8569318, 1.2(3)) Show SMILES CSc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H18N4O2S2/c1-20-9-8-14-12(11-20)10-18-16-15(17(24-2)19-21(14)16)25(22,23)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in HeLa cells after 120 mins				Bioorg Med Chem Lett 22: 4273-80 (2012) Article DOI: 10.1016/j.bmcl.2012.05.036 BindingDB Entry DOI: 10.7270/Q2VH5PZ8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50396228 (CHEMBL2172183 | US8569318, 1.2(3)) Show SMILES CSc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H18N4O2S2/c1-20-9-8-14-12(11-20)10-18-16-15(17(24-2)19-21(14)16)25(22,23)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5HT6 receptor expressed in HE293 cells assessed as inhibition of serotonin-induced cAMP accumulation after 2...				Bioorg Med Chem Lett 22: 4273-80 (2012) Article DOI: 10.1016/j.bmcl.2012.05.036 BindingDB Entry DOI: 10.7270/Q2VH5PZ8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50396228 (CHEMBL2172183 | US8569318, 1.2(3)) Show SMILES CSc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H18N4O2S2/c1-20-9-8-14-12(11-20)10-18-16-15(17(24-2)19-21(14)16)25(22,23)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	35.7	n/a	76.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Activity test of serotonin 5-HT6 receptor antagonists of the general formulas 1, 2 in the setting of competitive binding to serotonin 5-HT6 receptors...				US Patent US8569318 (2013) BindingDB Entry DOI: 10.7270/Q2JH3JT8
					More data for this Ligand-Target Pair