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Compile Data Set for Download or QSAR

Found 153 hits Enz. Inhib. hit(s) with Target = 'GABA-B receptor 1/2'   
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


(Homo sapiens (Human))
BDBM50108998
PNG
(CHEMBL3600560)
Show SMILES NC[C@@H](F)CP(O)(O)=O
Show InChI InChI=1/C3H9FNO3P/c4-3(1-5)2-9(6,7)8/h3H,1-2,5H2,(H2,6,7,8)/t3-/s2
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n/an/an/an/a 8.60n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABA-B receptor


J Med Chem 58: 6336-47 (2015)


Article DOI: 10.1021/jm5018913
BindingDB Entry DOI: 10.7270/Q2T155F6
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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n/an/an/an/a 200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mammalian Gamma-aminobutyric acid type B receptor (potent agonist)


Bioorg Med Chem Lett 6: 2073-2076 (1996)


Article DOI: 10.1016/0960-894X(96)00364-2
BindingDB Entry DOI: 10.7270/Q2DV1KC9
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
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/an/an/a 530n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032964
PNG
((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...)
Show SMILES NC[C@H](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)/t8-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1/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/an/an/a 1.70E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427614
PNG
(CHEMBL2322946)
Show SMILES CC(C)(C)c1cc2c(OC(=O)C2(O)C(F)(F)F)c(c1)C(C)(C)C
Show InChI InChI=1/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50108996
PNG
(CGP-7930 | CHEMBL1256697)
Show SMILES CC(C)(CO)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
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n/an/an/an/a 5.37E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at GABA-B receptor (unknown origin) assessed as potentiation of 1 uM GABA-induced [35S]GTPgammaS binding


J Med Chem 58: 6336-47 (2015)


Article DOI: 10.1021/jm5018913
BindingDB Entry DOI: 10.7270/Q2T155F6
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427603
PNG
(CHEMBL2322934)
Show SMILES CC(=O)c1ccc(cc1)C(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C21H24F2O3/c1-12(24)16-2-4-17(5-3-16)18(25)21(22,23)19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,18,25H,6-11H2,1H3
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n/an/an/an/a 1.59E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427603
PNG
(CHEMBL2322934)
Show SMILES CC(=O)c1ccc(cc1)C(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C21H24F2O3/c1-12(24)16-2-4-17(5-3-16)18(25)21(22,23)19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,18,25H,6-11H2,1H3
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n/an/an/an/a 2.49E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427603
PNG
(CHEMBL2322934)
Show SMILES CC(=O)c1ccc(cc1)C(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C21H24F2O3/c1-12(24)16-2-4-17(5-3-16)18(25)21(22,23)19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,18,25H,6-11H2,1H3
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n/an/an/an/a 3.78E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427613
PNG
(CHEMBL2322935)
Show SMILES OC(\C=C\c1ccccc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C21H24F2O2/c22-21(23,18(24)7-6-14-4-2-1-3-5-14)19(25)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,24H,8-13H2/b7-6+
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n/an/an/an/a 4.00E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427612
PNG
(CHEMBL2322942)
Show SMILES OC(C1CCCCC1)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C19H20F2O2/c20-19(21,17(22)14-7-2-1-3-8-14)18(23)16-11-10-13-6-4-5-9-15(13)12-16/h4-6,9-12,14,17,22H,1-3,7-8H2
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n/an/an/an/a 5.35E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427611
PNG
(CHEMBL2322939)
Show SMILES COc1ccc(cc1)C(O)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C20H16F2O3/c1-25-17-10-8-14(9-11-17)18(23)20(21,22)19(24)16-7-6-13-4-2-3-5-15(13)12-16/h2-12,18,23H,1H3
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n/an/an/an/a 6.18E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427610
PNG
(CHEMBL2322940)
Show SMILES CCC\C=C\C(O)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C18H18F2O2/c1-2-3-4-9-16(21)18(19,20)17(22)15-11-10-13-7-5-6-8-14(13)12-15/h4-12,16,21H,2-3H2,1H3/b9-4+
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n/an/an/an/a 6.69E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427609
PNG
(CHEMBL2322941)
Show SMILES C\C=C\C=C\C(O)C(F)(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C18H16F2O2/c1-2-3-4-9-16(21)18(19,20)17(22)15-11-10-13-7-5-6-8-14(13)12-15/h2-12,16,21H,1H3/b3-2+,9-4+
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n/an/an/an/a 9.93E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427608
PNG
(CHEMBL2322943)
Show SMILES CCC\C=C\C(O)C(F)(F)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C14H15ClF2O2/c1-2-3-4-5-12(18)14(16,17)13(19)10-6-8-11(15)9-7-10/h4-9,12,18H,2-3H2,1H3/b5-4+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427607
PNG
(CHEMBL2322944)
Show SMILES CCCCC=CC(=O)C(F)(F)C(O)\C=C\C=C\C
Show InChI InChI=1/C14H20F2O2/c1-3-5-7-9-11-13(18)14(15,16)12(17)10-8-6-4-2/h4,6,8-12,17H,3,5,7H2,1-2H3/b6-4+,10-8+,11-9+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427605
PNG
(CHEMBL2322932)
Show SMILES C[C@H](C[C@@H](O)C(F)(F)C(=O)c1ccc2OCOc2c1)O[Si](C(C)C)(C(C)C)C(C)C
Show InChI InChI=1/C22H34F2O5Si/c1-13(2)30(14(3)4,15(5)6)29-16(7)10-20(25)22(23,24)21(26)17-8-9-18-19(11-17)28-12-27-18/h8-9,11,13-16,20,25H,10,12H2,1-7H3/t16-,20-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427604
PNG
(CHEMBL2322936)
Show SMILES FC(F)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C12H8F2O/c13-12(14)11(15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427602
PNG
(CHEMBL2322937)
Show SMILES COC(c1ccc(cc1)C(C)=O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C22H26F2O3/c1-13(25)17-3-5-18(6-4-17)19(27-2)22(23,24)20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,19H,7-12H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427601
PNG
(CHEMBL2322938)
Show SMILES CC(=O)c1ccc(cc1)C(O)CC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C21H26O3/c1-13(22)17-2-4-18(5-3-17)19(23)9-20(24)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,14-16,19,23H,6-12H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50427606
PNG
(CHEMBL2322945)
Show SMILES C\C=C\C=C\C(O)C(F)(F)C(=O)C(C)(C)C
Show InChI InChI=1/C12H18F2O2/c1-5-6-7-8-9(15)12(13,14)10(16)11(2,3)4/h5-9,15H,1-4H3/b6-5+,8-7+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1
Show InChI InChI=1/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
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n/an/an/an/a 5.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAb 1b/2 receptor expressed in Xenopus laevis oocytes co-expressing GIRK1/4 assessed as inhibition of GABA...


ACS Med Chem Lett 2: 11-16 (2011)


Article DOI: 10.1021/ml1001344
BindingDB Entry DOI: 10.7270/Q2FX79QR
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1
Show InChI InChI=1/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
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n/an/an/an/a 5.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat hippocampal Gamma-aminobutyric acid type B receptor (weak agonist)


Bioorg Med Chem Lett 6: 2073-2076 (1996)


Article DOI: 10.1016/0960-894X(96)00364-2
BindingDB Entry DOI: 10.7270/Q2DV1KC9
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1/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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6.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay


J Med Chem 58: 6336-47 (2015)


Article DOI: 10.1021/jm5018913
BindingDB Entry DOI: 10.7270/Q2T155F6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Homo sapiens (Human))
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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9.20E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay


J Med Chem 58: 6336-47 (2015)


Article DOI: 10.1021/jm5018913
BindingDB Entry DOI: 10.7270/Q2T155F6
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
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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1.77E+5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay


J Med Chem 58: 6336-47 (2015)


Article DOI: 10.1021/jm5018913
BindingDB Entry DOI: 10.7270/Q2T155F6
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009135
PNG
((1-Aminomethyl-5-chloro-indan-1-yl)-acetic acid; h...)
Show SMILES NCC1(CC(O)=O)CCc2cc(Cl)ccc12
Show InChI InChI=1/C12H14ClNO2/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16/h1-2,5H,3-4,6-7,14H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009133
PNG
(4-Amino-3-(2,6-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1/C10H11Cl2NO2/c11-7-2-1-3-8(12)10(7)6(5-13)4-9(14)15/h1-3,6H,4-5,13H2,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009131
PNG
(4-Amino-3-(2,4-dichloro-phenyl)-butyric acid; hydr...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C10H11Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3,5,13H2,(H,14,15)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009136
PNG
((7-Aminomethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7...)
Show SMILES NCC1(CC(O)=O)Cc2ccccc12
Show InChI InChI=1/C11H13NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h1-4H,5-7,12H2,(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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 420n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009134
PNG
((1-Aminomethyl-indan-1-yl)-acetic acid; hydrochlor...)
Show SMILES NCC1(CC(O)=O)CCc2ccccc12
Show InChI InChI=1/C12H15NO2/c13-8-12(7-11(14)15)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8,13H2,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50009132
PNG
((1-Aminomethyl-1,2,3,4-tetrahydro-naphthalen-1-yl)...)
Show SMILES NCC1(CC(O)=O)CCCc2ccccc12
Show InChI InChI=1/C13H17NO2/c14-9-13(8-12(15)16)7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,14H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 34: 1307-13 (1991)


Article DOI: 10.1021/jm00108a011
BindingDB Entry DOI: 10.7270/Q27D2VRW
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 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=1/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)


Article DOI: 10.1021/jm00387a031
BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032973
PNG
(((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...)
Show SMILES CP(O)(=O)CCC=N
Show InChI InChI=1/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
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n/an/a 665n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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n/an/a 152n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032962
PNG
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES NCCCP(=O)=O
Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
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n/an/a 280n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032959
PNG
(CHEMBL111378 | [3-Amino-2-(4-fluoro-phenyl)-propyl...)
Show SMILES NCC(CP(O)=O)c1ccc(F)cc1
Show InChI InChI=1/C9H13FNO2P/c10-9-3-1-7(2-4-9)8(5-11)6-14(12)13/h1-4,8,14H,5-6,11H2,(H,12,13)
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n/an/a 360n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032960
PNG
((3-Amino-1-trifluoromethyl-propyl)-methyl-phosphin...)
Show SMILES CP(O)(=O)C(CCN)C(F)(F)F
Show InChI InChI=1/C5H11F3NO2P/c1-12(10,11)4(2-3-9)5(6,7)8/h4H,2-3,9H2,1H3,(H,10,11)
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n/an/a 6.76E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032961
PNG
((3-Amino-2-hydroxy-propyl)-difluoromethyl-phosphin...)
Show SMILES NCC(=O)CP(O)(O)C(F)F
Show InChI InChI=1S/C4H10F2NO3P/c5-4(6)11(9,10)2-3(8)1-7/h4,9-11H,1-2,7H2
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n/an/a 213n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Homo sapiens (Human))
BDBM50032962
PNG
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES NCCCP(=O)=O
Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB

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PC cid
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PubMed
n/an/a 4.41E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum


J Med Chem 38: 3297-312 (1995)


Article DOI: 10.1021/jm00017a015
BindingDB Entry DOI: 10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
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