BDBM50014229 6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline-10-carbonitrile; hydrochloride::CHEMBL545724

SMILES: CSc1ccc(cc1)C1CN2CCCC2c2c(cccc12)C#N

InChI Key: InChIKey=AMUJCSFRPIATDU-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 = 50014229   

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)	BDBM50014229 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(cccc12)C#N Show InChI InChI=1S/C20H20N2S/c1-23-16-9-7-14(8-10-16)18-13-22-11-3-6-19(22)20-15(12-21)4-2-5-17(18)20/h2,4-5,7-10,18-19H,3,6,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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 serotonin(5-HT) 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)	BDBM50014229 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(cccc12)C#N Show InChI InChI=1S/C20H20N2S/c1-23-16-9-7-14(8-10-16)18-13-22-11-3-6-19(22)20-15(12-21)4-2-5-17(18)20/h2,4-5,7-10,18-19H,3,6,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	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)	BDBM50014229 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2c(cccc12)C#N Show InChI InChI=1S/C20H20N2S/c1-23-16-9-7-14(8-10-16)18-13-22-11-3-6-19(22)20-15(12-21)4-2-5-17(18)20/h2,4-5,7-10,18-19H,3,6,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+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