BDBM50014236 6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline; hydrobromide::CHEMBL539803

SMILES: CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12

InChI Key: InChIKey=MGIQNVOTXFSAHQ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50014236   

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
Dopamine transporter (MOUSE)	BDBM50014236 (6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...) Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
					More data for this Ligand-Target Pair
Norepinephrine transporter (MOUSE)	BDBM50014236 (6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...) Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for norepinephrine (NE) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
					More data for this Ligand-Target Pair
SLC6A3 (MOUSE)	BDBM50014236 (6-(4-Ethylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro...) Show SMILES CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C20H23NS/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
					More data for this Ligand-Target Pair