BDBM50400902 1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine::CHEMBL2204360::Lu-AA21004::Trintellix::brintellix::vortioxetine hydrobromide

SMILES: Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

InChI Key: InChIKey=YQNWZWMKLDQSAC-UHFFFAOYSA-N

Data: 25 KI  13 IC50  3 EC50

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 41 hits for monomerid = 50400902   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126769
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation count...				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126769
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity at human 5HT1B receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human beta 1 adrenergic receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to rat 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human 5HT7 receptor expressed in HEK-CNG cells assessed as effect on cAMP production by fluorescence based assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human beta 2 adrenergic receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysis				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectro...				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126769
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of SERT in rat brain synaptosomes assessed as reduction in [3H]-5-HT uptake measured after 15 mins by scintillation counting method				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as [35S]GTPgammaS binding				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological method				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to rat 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Partial agonist activity at human 5HT1B receptor expressed in CHO cells assessed as [35S]GTPgammaS binding				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation counting				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human 5HT3A receptor expressed in xenopus oocytes by electrophysiological method				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair