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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50002268   
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
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021185
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL42...)
Show SMILES NC[C@@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021189
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL40...)
Show SMILES NC[C@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021186
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL296263 | S(...)
Show SMILES NC[C@@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50021186
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL296263 | S(...)
Show SMILES NC[C@@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50021187
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL290216 | R(...)
Show SMILES NC[C@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50021189
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL40...)
Show SMILES NC[C@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50225363
PNG
(CHEMBL40363)
Show SMILES NCC1CC(=O)NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/a 3.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50021185
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL42...)
Show SMILES NC[C@@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


Article DOI: 10.1021/jm00149a012
BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair