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BDBM50346445 1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluoromethylphenyl-(S)-pyrrolidin-3-ylamino)propan-1-one::CHEMBL1782804

SMILES: [O-][N+](=O)c1ccc(N2CC[C@@H](C2)NCCC(=O)c2csc3ccccc23)c(c1)C(F)(F)F

InChI Key: InChIKey=QUZXJJNRZJWDOO-AWEZNQCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50346445   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50346445
PNG
(1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluorom...)
Show SMILES [O-][N+](=O)c1ccc(N2CC[C@@H](C2)NCCC(=O)c2csc3ccccc23)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O3S/c23-22(24,25)18-11-15(28(30)31)5-6-19(18)27-10-8-14(12-27)26-9-7-20(29)17-13-32-21-4-2-1-3-16(17)21/h1-6,11,13-14,26H,7-10,12H2/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.02E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting

J Med Chem 54: 3086-90 (2011)


Article DOI: 10.1021/jm2000773
BindingDB Entry DOI: 10.7270/Q26T0N0M
More data for this
Ligand-Target Pair