BDBM50314759 2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine::CHEMBL1091206::US8629154, 1.1(1)

SMILES: CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=HNKMZOVFZLBOBK-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 = 50314759   

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))	BDBM50314759 (2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...) Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.458	-12.9	0.986	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))	BDBM50314759 (2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...) Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.458	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))	BDBM50314759 (2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...) Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	118	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))	BDBM50314759 (2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...) Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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))	BDBM50314759 (2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...) Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	27	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