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SMILES: COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1

InChI Key: InChIKey=HIFLACAUPGVDAM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50409508   

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 2C (Homo sapiens (Human))	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]mesulergine binding from 5-hydroxytryptamine 2C receptor from bovine choroid plexus.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Kinetic inhibition constant evaluated by measuring serotonergic activity				J Med Chem 43: 3233-43 (2000) Article DOI: 10.1021/jm000941m BindingDB Entry DOI: 10.7270/Q2QJ7M2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (RAT)	BDBM50409508 (CHEMBL110847) Show SMILES COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H26N2O2S/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20/h2-5,9,15-16H,6-8,10-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	64.6	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair