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BDBM50130162 (S)-1-[(4S,6R)-4-(4-Chloro-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(1H-indol-4-yloxy)-propan-2-ol::CHEMBL310402

SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(Cl)cccc2s1

InChI Key: InChIKey=KHDWPPOQGTVCHK-KSZLIROESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130162   
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))		BDBM50130162
PNG
((S)-1-[(4S,6R)-4-(4-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-12-17(25-13-20-21(26)4-2-7-24(20)31-25)9-11-28(16)14-18(29)15-30-23-6-3-5-22-19(23)8-10-27-22/h2-8,10,13,16-18,27,29H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 0.690n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes

Bioorg Med Chem Lett 13: 2393-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair