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SMILES: Cc1cccc(C(SCCN2CCC[C@H](C2)C(O)=O)c2ccccc2C)c1C

InChI Key: InChIKey=KHEUWOCQAZKYJA-PPUHSXQSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213506   
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- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50213506
PNG
((3R)-1-(2-((2,3-dimethylphenyl)(o-tolyl)methylthio...)
Show SMILES Cc1cccc(C(SCCN2CCC[C@H](C2)C(O)=O)c2ccccc2C)c1C |w:6.6|
Show InChI InChI=1S/C24H31NO2S/c1-17-9-6-12-22(19(17)3)23(21-11-5-4-8-18(21)2)28-15-14-25-13-7-10-20(16-25)24(26)27/h4-6,8-9,11-12,20,23H,7,10,13-16H2,1-3H3,(H,26,27)/t20-,23?/m1/s1
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Similars
Article
PubMed
n/an/a 2.13E+6n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells

Bioorg Med Chem Lett 17: 3769-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.010
BindingDB Entry DOI: 10.7270/Q2W66MMJ
More data for this
Ligand-Target Pair