BDBM50014227 6-(4-Methanesulfinyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline::CHEMBL96615

SMILES: CS(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12

InChI Key: InChIKey=ZZEZIZXQPFAXHQ-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 = 50014227   

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)	BDBM50014227 (6-(4-Methanesulfinyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES CS(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NOS/c1-22(21)15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	597	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)	BDBM50014227 (6-(4-Methanesulfinyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES CS(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NOS/c1-22(21)15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	723	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)	BDBM50014227 (6-(4-Methanesulfinyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES CS(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NOS/c1-22(21)15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.18E+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