BDBM50064583 6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzothiazol-2-one::CHEMBL294730

SMILES: COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1

InChI Key: InChIKey=HQRJJQDPSVJHQO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50064583   

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
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal cortex using [3H]-5-HT				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards 5-hydroxytryptamine 2C receptor in membranes from pig choroid plexus using [3H]-N-methyl-mesulergine				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards 5-hydroxytryptamine 1A receptor in membranes from bovine hippocampus using [3H]-OH-DPAT				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2 in membranes from bovine striatum using [3H]-raclopride				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50064583 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Curated by ChEMBL					Assay Description Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin				J Med Chem 41: 2010-8 (1998) Article DOI: 10.1021/jm970298c BindingDB Entry DOI: 10.7270/Q2FB522Q
					More data for this Ligand-Target Pair