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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'GABA-C receptor'   
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-C receptor


(Homo sapiens)
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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PubMed
n/an/an/an/a 269n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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 270n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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 270n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087271
PNG
((E)-4-Amino-but-2-enoic acid (TACA) | 4-Amino-but-...)
Show SMILES NC\C=C\C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
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n/an/an/an/a 400n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM50087271
PNG
((E)-4-Amino-but-2-enoic acid (TACA) | 4-Amino-but-...)
Show SMILES NC\C=C\C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
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n/an/an/an/a 400n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against homomeric rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087271
PNG
((E)-4-Amino-but-2-enoic acid (TACA) | 4-Amino-but-...)
Show SMILES NC\C=C\C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
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n/an/an/an/a 440n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087271
PNG
((E)-4-Amino-but-2-enoic acid (TACA) | 4-Amino-but-...)
Show SMILES NC\C=C\C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
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n/an/an/an/a 600n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against homomeric rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052792
PNG
(CHEBI:7035 | MUSCIMOL | Muscimol)
Show SMILES NCc1cc(O)no1
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/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052792
PNG
(CHEBI:7035 | MUSCIMOL | Muscimol)
Show SMILES NCc1cc(O)no1
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/an/an/a 700n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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/an/an/a 700n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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 800n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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 1.00E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at GABAC rho1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/ml300476v
BindingDB Entry DOI: 10.7270/Q27H1KXG
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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 1.19E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052799
PNG
(CHEMBL3322882)
Show SMILES NC1=NCC(CC1)C(O)=O
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)
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n/an/an/an/a 1.23E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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/an/an/a 1.40E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052801
PNG
(CHEMBL3322886)
Show SMILES NC1=NCC(CN1)C(O)=O
Show InChI InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
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n/an/an/an/a 1.59E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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/an/an/a 2.30E+3n/an/an/an/a


TBA

Assay Description
Partial agonist activity at GABAC rho1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/ml300476v
BindingDB Entry DOI: 10.7270/Q27H1KXG
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052799
PNG
(CHEMBL3322882)
Show SMILES NC1=NCC(CC1)C(O)=O
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)
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n/an/an/an/a 2.30E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087273
PNG
(4-Amino-2-fluoro-but-2-enoic acid (2-FTACA) | CHEM...)
Show SMILES NC\C=C(/F)C(O)=O
Show InChI InChI=1S/C4H6FNO2/c5-3(1-2-6)4(7)8/h1H,2,6H2,(H,7,8)/b3-1-
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n/an/an/an/a 2.43E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425647
PNG
(CHEMBL2315213)
Show SMILES NCc1cnn(O)c1
Show InChI InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2
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n/an/an/an/a 3.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087276
PNG
(3-Amino-propane-1-sulfinic acid (Homohypotaurine) ...)
Show SMILES NCCCS(O)=O
Show InChI InChI=1S/C3H9NO2S/c4-2-1-3-7(5)6/h1-4H2,(H,5,6)
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n/an/an/an/a 4.60E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50052801
PNG
(CHEMBL3322886)
Show SMILES NC1=NCC(CN1)C(O)=O
Show InChI InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
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n/an/an/an/a 8.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50243926
PNG
((1R,2R)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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n/an/an/an/a 1.60E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xenopus oocytes, low intrinsic activity (Im 3%)


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM50087269
PNG
((cis)-2-Aminomethyl-cyclopropanecarboxylic acid | ...)
Show SMILES NCC1CC1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 1.75E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity with low efficacy against rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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/an/an/a 1.91E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087269
PNG
((cis)-2-Aminomethyl-cyclopropanecarboxylic acid | ...)
Show SMILES NCC1CC1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Full agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50218536
PNG
(4(5)-(carboxymethyl)-5(4)-methylimidazole | CHEMBL...)
Show SMILES Cc1nc[nH]c1CC(O)=O
Show InChI InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)8-3-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
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n/an/an/an/a 2.20E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at GABAC rho1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/ml300476v
BindingDB Entry DOI: 10.7270/Q27H1KXG
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM50087269
PNG
((cis)-2-Aminomethyl-cyclopropanecarboxylic acid | ...)
Show SMILES NCC1CC1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 3.45E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Full agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 3.89E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 3.90E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50241194
PNG
((1S,2R)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
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n/an/an/an/a 3.97E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at GABAC rho1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/ml300476v
BindingDB Entry DOI: 10.7270/Q27H1KXG
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50243877
PNG
((1R,2S)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m1/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50374648
PNG
(CHEMBL403157)
Show SMILES N[C@@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2(3)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3+/m0/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
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/an/an/a 4.48E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425647
PNG
(CHEMBL2315213)
Show SMILES NCc1cnn(O)c1
Show InChI InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2
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n/an/an/an/a 5.50E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in HEK293 cells by patch clamp electrophysiology assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50243927
PNG
((1S,2S)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
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n/an/an/an/a 5.90E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50374647
PNG
(CHEMBL256608)
Show SMILES C[C@@H](CCN)C(O)=O
Show InChI InChI=1S/C5H11NO2/c1-4(2-3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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n/an/an/an/a 6.50E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087269
PNG
((cis)-2-Aminomethyl-cyclopropanecarboxylic acid | ...)
Show SMILES NCC1CC1C(O)=O
Show InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 6.80E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Full agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM50087277
PNG
((Z)-4-Amino-but-2-enoic acid | (Z)-4-aminobut-2-en...)
Show SMILES NC\C=C/C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-
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n/an/an/an/a 7.00E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity againast human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087277
PNG
((Z)-4-Amino-but-2-enoic acid | (Z)-4-aminobut-2-en...)
Show SMILES NC\C=C/C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-
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n/an/an/an/a 7.40E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp m...


J Med Chem 51: 3825-40 (2008)


Article DOI: 10.1021/jm7015842
BindingDB Entry DOI: 10.7270/Q27M07RR
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50087277
PNG
((Z)-4-Amino-but-2-enoic acid | (Z)-4-aminobut-2-en...)
Show SMILES NC\C=C/C(O)=O
Show InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-
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n/an/an/an/a 7.40E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens)
BDBM50087274
PNG
(4-Amino-2-methyl-but-2-enoic acid (2-MeTACA) | 4-a...)
Show SMILES C\C(=C/CN)C(O)=O
Show InChI InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2H,3,6H2,1H3,(H,7,8)/b4-2+
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n/an/an/an/a 1.01E+5n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Activation of human rho2 GABA-C receptor at 34% of maximal GABA-induced response


J Med Chem 43: 1427-47 (2000)


Article DOI: 10.1021/jm9904349
BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425640
PNG
(CHEMBL2315226)
Show SMILES NCc1cn(O)nc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,20H,10,17H2
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n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425641
PNG
(CHEMBL2311576)
Show SMILES NCc1cn(O)nc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,20H,10,17H2
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n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425642
PNG
(CHEMBL2315222)
Show SMILES NCc1cn(O)nc1-c1ccccc1
Show InChI InChI=1S/C10H11N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H,6,11H2
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n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425644
PNG
(CHEMBL2315218)
Show SMILES NCc1cn(O)nc1I
Show InChI InChI=1S/C4H6IN3O/c5-4-3(1-6)2-8(9)7-4/h2,9H,1,6H2
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n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425645
PNG
(CHEMBL2315216)
Show SMILES Cc1c(CN)cnn1O
Show InChI InChI=1S/C5H9N3O/c1-4-5(2-6)3-7-8(4)9/h3,9H,2,6H2,1H3
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PC cid
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UniChem
Article
PubMed
n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens)
BDBM50425646
PNG
(CHEMBL2315214)
Show SMILES NCc1cnn(O)c1Cl
Show InChI InChI=1S/C4H6ClN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>5.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
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