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BDBM50081901 (R)-1-[2-(3,3-Di-o-tolyl-allyloxy)-ethyl]-piperidine-3-carboxylic acid; hydrochloride::CHEMBL538782

SMILES: [#6]-c1ccccc1\[#6](=[#6]/[#6]-[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]

InChI Key: InChIKey=CFOPWEONSDFWJG-OAQYLSRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081901   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50081901
PNG
((R)-1-[2-(3,3-Di-o-tolyl-allyloxy)-ethyl]-piperidi...)
Show SMILES Cc1ccccc1C(=CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C25H31NO3/c1-19-8-3-5-11-22(19)24(23-12-6-4-9-20(23)2)13-16-29-17-15-26-14-7-10-21(18-26)25(27)28/h3-6,8-9,11-13,21H,7,10,14-18H2,1-2H3,(H,27,28)/t21-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes


J Med Chem 42: 4281-91 (1999)


Article DOI: 10.1021/jm980492e
BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair