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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50057102'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50057102
PNG
(CHEMBL10410 | [2-(2-Methanesulfonyl-2,3-dihydro-1H...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CN(Cc4c3)S(C)(=O)=O)CCCc12
Show InChI InChI=1S/C24H32N2O3S/c1-25(15-20-6-4-8-23-22(20)7-5-9-24(23)29-2)13-12-18-10-11-19-16-26(30(3,27)28)17-21(19)14-18/h5,7,9-11,14,20H,4,6,8,12-13,15-17H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.81n/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