BDBM50373031 CHEMBL411263

SMILES: FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1

InChI Key: InChIKey=JTLPJEXKDFZLAY-HKUYNNGSSA-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 = 50373031   

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))	BDBM50373031 (CHEMBL411263) Show SMILES FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50373031 (CHEMBL411263) Show SMILES FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	733	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))	BDBM50373031 (CHEMBL411263) Show SMILES FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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