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PubMed code 1652022

Compile data set for download or QSAR
Found 18 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
GABA-B receptor 1/2


(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 40n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus)
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 180n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus)
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 180n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007118
PNG
(4-Amino-3-(5-chloro-thiophen-2-yl)-butyric acid | ...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)s1
Show InChI InChI=1S/C8H10ClNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)
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n/an/a 610n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007121
PNG
(4-Amino-3-(2-chloro-phenyl)-butyric acid | CHEMBL8...)
Show SMILES NCC(CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)
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n/an/a 800n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50368295
PNG
(CHEMBL301492)
Show SMILES NC[C@H](CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007107
PNG
(4-Amino-3-(5-methyl-thiophen-2-yl)-butyric acid | ...)
Show SMILES Cc1ccc(s1)C(CN)CC(O)=O
Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007108
PNG
(4-Amino-3-(5-bromo-thiophen-2-yl)-butyric acid | C...)
Show SMILES NCC(CC(O)=O)c1ccc(Br)s1
Show InChI InChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007117
PNG
(4-Amino-3-thiophen-2-yl-butyric acid | CHEMBL31547...)
Show SMILES NCC(CC(O)=O)c1cccs1
Show InChI InChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
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n/an/a 9.72E+3n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007109
PNG
(4-Amino-3-(3-chloro-phenyl)-butyric acid | CHEMBL3...)
Show SMILES NCC(CC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-2-7(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 2.00E+4n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007113
PNG
(4-Amino-3-thiophen-3-yl-butyric acid | CHEMBL87856)
Show SMILES NCC(CC(O)=O)c1ccsc1
Show InChI InChI=1S/C8H11NO2S/c9-4-7(3-8(10)11)6-1-2-12-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)
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n/an/a 2.09E+4n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007110
PNG
(4-Amino-3-(4-bromo-thiophen-2-yl)-butyric acid | C...)
Show SMILES NCC(CC(O)=O)c1cc(Br)cs1
Show InChI InChI=1S/C8H10BrNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)
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n/an/a 3.91E+4n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007111
PNG
(4-Amino-3-(4-chloro-thiophen-2-yl)-butyric acid | ...)
Show SMILES NCC(CC(O)=O)c1cc(Cl)cs1
Show InChI InChI=1S/C8H10ClNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)
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n/an/a 4.53E+4n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007112
PNG
(4-Amino-3-(5-methyl-furan-2-yl)-butyric acid | CHE...)
Show SMILES Cc1ccc(o1)C(CN)CC(O)=O
Show InChI InChI=1S/C9H13NO3/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007119
PNG
(4-Amino-3-phenyl-butyric acid | CHEMBL53073)
Show SMILES NC[C@H](CC(O)=O)c1ccccc1
Show InChI InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
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



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007114
PNG
(4-Amino-3-furan-2-yl-butyric acid | CHEMBL85880)
Show SMILES NCC(CC(O)=O)c1ccco1
Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus)
BDBM50007116
PNG
(4-Amino-3-(3-methyl-thiophen-2-yl)-butyric acid | ...)
Show SMILES Cc1ccsc1C(CN)CC(O)=O
Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-13-9(6)7(5-10)4-8(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)
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n/an/a 1.24E+5n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%