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PubMed code 3031294

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
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 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021755
PNG
(4-Amino-3-(5-methoxy-benzofuran-2-yl)-butyric acid...)
Show SMILES COc1ccc2oc(cc2c1)C(CN)CC(O)=O
Show InChI InChI=1S/C13H15NO4/c1-17-10-2-3-11-8(4-10)5-12(18-11)9(7-14)6-13(15)16/h2-5,9H,6-7,14H2,1H3,(H,15,16)
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n/an/a 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021756
PNG
(4-Amino-3-benzofuran-2-yl-butyric acid | CHEMBL349...)
Show SMILES NCC(CC(O)=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H13NO3/c13-7-9(6-12(14)15)11-5-8-3-1-2-4-10(8)16-11/h1-5,9H,6-7,13H2,(H,14,15)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021758
PNG
(4-Amino-3-(2,3-dihydro-benzofuran-2-yl)-butyric ac...)
Show SMILES NCC(CC(O)=O)C1Cc2ccccc2O1
Show InChI InChI=1S/C12H15NO3/c13-7-9(6-12(14)15)11-5-8-3-1-2-4-10(8)16-11/h1-4,9,11H,5-7,13H2,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50007120
PNG
(4-Amino-3-(4-hydroxy-phenyl)-butyric acid | CHEMBL...)
Show SMILES NCC(CC(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H13NO3/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021759
PNG
(4-Amino-3-(5-methoxy-2,3-dihydro-benzofuran-2-yl)-...)
Show SMILES COc1ccc2OC(Cc2c1)C(CN)CC(O)=O
Show InChI InChI=1S/C13H17NO4/c1-17-10-2-3-11-8(4-10)5-12(18-11)9(7-14)6-13(15)16/h2-4,9,12H,5-7,14H2,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021757
PNG
(4-Amino-3-(4-benzyloxy-phenyl)-butyric acid; hydro...)
Show SMILES NCC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO3/c18-11-15(10-17(19)20)14-6-8-16(9-7-14)21-12-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021761
PNG
(4-Amino-3-[4-(4-fluoro-benzyloxy)-phenyl]-butyric ...)
Show SMILES NCC(CC(O)=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H18FNO3/c18-15-5-1-12(2-6-15)11-22-16-7-3-13(4-8-16)14(10-19)9-17(20)21/h1-8,14H,9-11,19H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM50021763
PNG
(4-Amino-3-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-...)
Show SMILES Cn1c2ccc(cc2oc1=O)C(CN)CC(O)=O
Show InChI InChI=1S/C12H14N2O4/c1-14-9-3-2-7(4-10(9)18-12(14)17)8(6-13)5-11(15)16/h2-4,8H,5-6,13H2,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%