BDBM50021217 CHEMBL52247::Talsupram::[3-(3,3-Dimethyl-1-phenyl-1,3-dihydro-benzo[c]thiophen-1-yl)-propyl]-methyl-amine(Talsupram)

SMILES: CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1

InChI Key: InChIKey=FKHYYOUFMJBLAF-UHFFFAOYSA-N

Data: 7 KI  3 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 10 hits for monomerid = 50021217   

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
Norepinephrine transporter (RAT)	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021217 (CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...) Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair