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SMILES: CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12

InChI Key: InChIKey=UQLASFOWQSFVMZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50076402   

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 3A/3B (Rattus norvegicus-RAT)	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum.				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor of rat pre-frontal cortex.				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity towards Serotonin transporter was determined in rat forebrain membrane				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus tissue.				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50076402 (6-(4-Methyl-piperazin-1-yl)-4,5-dihydro-3-thia-7-a...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12 Show InChI InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-16-6-7-18-15(8-13-24-18)19(16)14-4-2-3-5-17(14)21-20/h2-5,8,13H,6-7,9-12H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor of rat cortex.				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair