BDBM50373028 CHEMBL411262

SMILES: FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1

InChI Key: InChIKey=XWFSWRARAVLBFN-ICSRJNTNSA-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 = 50373028   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50373028 (CHEMBL411262) Show SMILES FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50373028 (CHEMBL411262) Show SMILES FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50373028 (CHEMBL411262) Show SMILES FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125]RTI35 from human DAT expressed in canine kidney cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair