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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'andrade e silva' and Initial = 'ml'   
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- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
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PubMed
n/an/a 2.06E+4n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of GAT-1 (unknown origin) expressed in african green monkey COS7 cells using [3H]-GABA as substrate after 10 mins by scintillation countin...


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of EAAT2 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillatio...


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) expressed in MDCK cells using [3H]-glycine as substrate after 10 mins by scintillation counting


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of EAAT1 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillatio...


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of GAT-3 (unknown origin) expressed in african green monkey COS7 cells using [3H]-GABA as substrate after 10 mins by scintillation countin...


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50218812
PNG
((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
PDB

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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of EAAT3 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillatio...


J Nat Prod 76: 1889-95 (2013)


Article DOI: 10.1021/np400452n
BindingDB Entry DOI: 10.7270/Q2805413
More data for this
Ligand-Target Pair