BDBM103504 CHEMBL2172192::US8552017, 2(7).HCl

SMILES: CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=CHVVPMVMKPMDFR-UHFFFAOYSA-N

Data: 3 KI  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 4 hits for monomerid = 103504   

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))	BDBM103504 (CHEMBL2172192 | US8552017, 2(7).HCl) Show SMILES CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-14-8-9-21(2)10-12(14)11-22(17)20-16/h3-7,11H,8-10H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	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))	BDBM103504 (CHEMBL2172192 | US8552017, 2(7).HCl) Show SMILES CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-14-8-9-21(2)10-12(14)11-22(17)20-16/h3-7,11H,8-10H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	3.26	n/a	7.02	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out b the method of radio...				US Patent US8552017 (2013) BindingDB Entry DOI: 10.7270/Q2R49PDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM103504 (CHEMBL2172192 | US8552017, 2(7).HCl) Show SMILES CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-14-8-9-21(2)10-12(14)11-22(17)20-16/h3-7,11H,8-10H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM103504 (CHEMBL2172192 | US8552017, 2(7).HCl) Show SMILES CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-14-8-9-21(2)10-12(14)11-22(17)20-16/h3-7,11H,8-10H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant ERG channel expressed in HEK297 cells after 3 to 8 mins by voltage clamp assay				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