BDBM50314760 2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline::CHEMBL1091207::US8629154, 1.2(1)

SMILES: CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=GALCAARNDAQXPY-UHFFFAOYSA-N

Data: 2 KI  4 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 5 hits for monomerid = 50314760   

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))	BDBM50314760 (2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...) Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.549	-12.8	1.18	n/a	n/a	n/a	n/a	7.4	30
TBA US Patent					Assay Description Determination of tested compounds binding with 5-HT6 receptors was carried out according to the method described in [Monsma F J Jr, Shen Y, Ward R P,...				US Patent US8629154 (2014) BindingDB Entry DOI: 10.7270/Q20R9N2C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50314760 (2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...) Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.549	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]LSD from 5HT6 receptor in humanHeLa cells after 120 mins				Bioorg Med Chem Lett 20: 2133-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.046 BindingDB Entry DOI: 10.7270/Q2V40VBK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50314760 (2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...) Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	411	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 5HT2B receptor in HEK293 cells assessed as inhibition of alphaME-5-HT-induced cAMP accumulation pretreated for 15 secs b...				Bioorg Med Chem Lett 20: 2133-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.046 BindingDB Entry DOI: 10.7270/Q2V40VBK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50314760 (2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...) Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	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 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...				Bioorg Med Chem Lett 20: 2133-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.046 BindingDB Entry DOI: 10.7270/Q2V40VBK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50314760 (2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...) Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Compounds of general formulas 1 and 2 were tested for their ability to prevent 5-HT6 receptors activation by serotonin. HEK 293 cells (cells of human...				US Patent US8629154 (2014) BindingDB Entry DOI: 10.7270/Q20R9N2C
					More data for this Ligand-Target Pair