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BDBM50179713 (S)-2-amino-4-(benzylthio)butanoic acid::CHEMBL380911

SMILES: N[C@@H](CCSCc1ccccc1)C(O)=O

InChI Key: InChIKey=KIPDMPPOTUGMPW-JTQLQIEISA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179713   
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
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179713
PNG
((S)-2-amino-4-(benzylthio)butanoic acid | CHEMBL38...)
Show SMILES N[C@@H](CCSCc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H15NO2S/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m0/s1
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PC sid
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair