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SMILES: COc1cccc2[C@H](CN(C)CCc3ccc4SCCc4c3)CCCc12

InChI Key: InChIKey=SQIVJTIOUMTFSA-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50057112   
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))		BDBM50057112
PNG
(CHEMBL10369 | [2-(2,3-Dihydro-benzo[b]thiophen-5-y...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4SCCc4c3)CCCc12
Show InChI InChI=1S/C23H29NOS/c1-24(13-11-17-9-10-23-18(15-17)12-14-26-23)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1
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Article
PubMed
n/an/a 24.3n/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex

J Med Chem 40: 1049-62 (1997)


Article DOI: 10.1021/jm960723m
BindingDB Entry DOI: 10.7270/Q2CF9P6W
More data for this
Ligand-Target Pair