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BDBM50417660 CHEMBL1642377

SMILES: OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1

InChI Key: InChIKey=YBRSOQNKLWRTMO-GEBKJHSDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417660   
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
GABA transporter 1


(Homo sapiens (Human))
BDBM50417660
PNG
(CHEMBL1642377)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12-/t18-/m1/s1
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Similars

Article
PubMed
93.3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay


Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair