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Compile Data Set for Download or QSAR

Found 119 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA-C receptor


(Homo sapiens (Human))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1
Show InChI InChI=1S/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/a 2.22E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


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


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1
Show InChI InChI=1S/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/a 2.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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-C receptor


(Homo sapiens (Human))
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 5.40E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist 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 (Human))
BDBM50032973
PNG
(((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...)
Show SMILES CP(O)(=O)CCC=N
Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50492303
PNG
(CHEMBL2398121)
Show SMILES NC1CC=C(C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50492306
PNG
(CHEMBL2398115)
Show SMILES NC1CC=C(C1)C(N)=O
Show InChI InChI=1S/C6H10N2O/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H2,8,9)
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50428278
PNG
(CHEMBL446306)
Show SMILES CCCCP(O)(=O)C1=C[C@@H](N)CC1
Show InChI InChI=1S/C9H18NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h7-8H,2-6,10H2,1H3,(H,11,12)/t8-/m0/s1
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n/an/a 9.76E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50240386
PNG
(5-amino-4-oxopentanoic acid | 5-aminolevulinic aci...)
Show SMILES NCC(=O)CCC(O)=O
Show InChI InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50492304
PNG
(CHEMBL2398120)
Show SMILES NC1CC=C(C1)C(=O)NO
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-5)6(9)8-10/h1,5,10H,2-3,7H2,(H,8,9)
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50374650
PNG
(CHEMBL257443)
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-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist 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 (Human))
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 1.71E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist 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 (Human))
BDBM50336851
PNG
(3-(aminomethyl)-1-oxo-1-hydroxy-phospholane | CHEM...)
Show SMILES NCC1CCP(O)(O)=C1
Show InChI InChI=1S/C5H12NO2P/c6-3-5-1-2-9(7,8)4-5/h4-5,7-8H,1-3,6H2
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n/an/a 1.99E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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 receptor rho-2 subunit


(Homo sapiens (Human))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1
Show InChI InChI=1S/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/a 2.21E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-2 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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-C receptor


(Homo sapiens (Human))
BDBM50336850
PNG
(3-(guanido)-1-oxo-1-hydroxy-phospholane | CHEMBL16...)
Show SMILES NC(N)=NC1CCP(O)(O)=C1
Show InChI InChI=1S/C5H12N3O2P/c6-5(7)8-4-1-2-11(9,10)3-4/h3-4,9-10H,1-2H2,(H4,6,7,8)
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n/an/a 2.97E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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 receptor rho-2 subunit


(Homo sapiens (Human))
BDBM50336850
PNG
(3-(guanido)-1-oxo-1-hydroxy-phospholane | CHEMBL16...)
Show SMILES NC(N)=NC1CCP(O)(O)=C1
Show InChI InChI=1S/C5H12N3O2P/c6-5(7)8-4-1-2-11(9,10)3-4/h3-4,9-10H,1-2H2,(H4,6,7,8)
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n/an/a 5.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-2 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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 receptor rho-2 subunit


(Homo sapiens (Human))
BDBM50336851
PNG
(3-(aminomethyl)-1-oxo-1-hydroxy-phospholane | CHEM...)
Show SMILES NCC1CCP(O)(O)=C1
Show InChI InChI=1S/C5H12NO2P/c6-3-5-1-2-9(7,8)4-5/h4-5,7-8H,1-3,6H2
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n/an/a 5.71E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-2 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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-C receptor


(Homo sapiens (Human))
BDBM50428276
PNG
(CHEMBL2337487)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNC(=O)CCC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c12
Show InChI InChI=1S/C31H46BF2N4O4P/c1-6-7-17-43(41,42)26-13-12-25(20-26)36-29(40)11-9-8-10-16-35-28(39)15-14-27-30-21(2)18-23(4)37(30)32(33,34)38-24(5)19-22(3)31(27)38/h18-20,25H,6-17H2,1-5H3,(H,35,39)(H,36,40)(H,41,42)/t25-/m0/s1
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n/an/a 5.86E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current preincubated for ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50032982
PNG
((3-Amino-propyl)-butyl-phosphinic acid | 3-aminopr...)
Show SMILES CCCCP(O)(=O)CCCN
Show InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50032982
PNG
((3-Amino-propyl)-butyl-phosphinic acid | 3-aminopr...)
Show SMILES CCCCP(O)(=O)CCCN
Show InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
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n/an/a 6.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...


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-C receptor


(Homo sapiens (Human))
BDBM50428275
PNG
(CHEMBL2337889)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C25H43N4O5PS/c1-2-3-15-35(33,34)19-13-12-18(16-19)27-23(31)11-5-4-8-14-26-22(30)10-7-6-9-21-24-20(17-36-21)28-25(32)29-24/h16,18,20-21,24H,2-15,17H2,1H3,(H,26,30)(H,27,31)(H,33,34)(H2,28,29,32)/t18-,20-,21-,24-/m0/s1
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n/an/a 7.65E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current preincubated for ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50492305
PNG
(CHEMBL2398122)
Show SMILES CONC(=O)C1=CCC(N)C1
Show InChI InChI=1S/C7H12N2O2/c1-11-9-7(10)5-2-3-6(8)4-5/h2,6H,3-4,8H2,1H3,(H,9,10)
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n/an/a 8.15E+4n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50243876
PNG
(CHEMBL447036 | trans-3-Amino-cyclobutyl(methyl)pho...)
Show SMILES CP(O)(O)C1=C[C@H](N)C1
Show InChI InChI=1S/C5H12NO2P/c1-9(7,8)5-2-4(6)3-5/h2,4,7-9H,3,6H2,1H3/t4-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50243875
PNG
(CHEMBL451118 | cis-3-Amino-cyclobutyl(methyl)phosp...)
Show SMILES CP(O)(O)C1=C[C@@H](N)C1
Show InChI InChI=1S/C5H12NO2P/c1-9(7,8)5-2-4(6)3-5/h2,4,7-9H,3,6H2,1H3/t4-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50525195
PNG
(CHEMBL4586460)
Show SMILES C[C@@H]1SC(N)=N[C@@H]1CC(O)=O
Show InChI InChI=1S/C6H10N2O2S/c1-3-4(2-5(9)10)8-6(7)11-3/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 9...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50428276
PNG
(CHEMBL2337487)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNC(=O)CCC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c12
Show InChI InChI=1S/C31H46BF2N4O4P/c1-6-7-17-43(41,42)26-13-12-25(20-26)36-29(40)11-9-8-10-16-35-28(39)15-14-27-30-21(2)18-23(4)37(30)32(33,34)38-24(5)19-22(3)31(27)38/h18-20,25H,6-17H2,1-5H3,(H,35,39)(H,36,40)(H,41,42)/t25-/m0/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50492302
PNG
(CHEMBL2398114)
Show SMILES NC1CC=C(C1)C(=O)NOCC=C
Show InChI InChI=1S/C9H14N2O2/c1-2-5-13-11-9(12)7-3-4-8(10)6-7/h2-3,8H,1,4-6,10H2,(H,11,12)
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n/an/a 1.15E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50428275
PNG
(CHEMBL2337889)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C25H43N4O5PS/c1-2-3-15-35(33,34)19-13-12-18(16-19)27-23(31)11-5-4-8-14-26-22(30)10-7-6-9-21-24-20(17-36-21)28-25(32)29-24/h16,18,20-21,24H,2-15,17H2,1H3,(H,26,30)(H,27,31)(H,33,34)(H2,28,29,32)/t18-,20-,21-,24-/m0/s1
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n/an/a 1.48E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50492299
PNG
(CHEMBL2398123)
Show SMILES CCONC(=O)C1=CCC(N)C1
Show InChI InChI=1S/C8H14N2O2/c1-2-12-10-8(11)6-3-4-7(9)5-6/h3,7H,2,4-5,9H2,1H3,(H,10,11)
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n/an/a 1.53E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50428277
PNG
(CHEMBL2337486)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C21H30N5O6P/c1-2-3-13-33(30,31)16-9-8-15(14-16)23-19(27)7-5-4-6-12-22-17-10-11-18(26(28)29)21-20(17)24-32-25-21/h10-11,14-15,22H,2-9,12-13H2,1H3,(H,23,27)(H,30,31)/t15-/m0/s1
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n/an/a 1.93E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current preincubated for ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50428277
PNG
(CHEMBL2337486)
Show SMILES CCCCP(O)(=O)C1=C[C@H](CC1)NC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C21H30N5O6P/c1-2-3-13-33(30,31)16-9-8-15(14-16)23-19(27)7-5-4-6-12-22-17-10-11-18(26(28)29)21-20(17)24-32-25-21/h10-11,14-15,22H,2-9,12-13H2,1H3,(H,23,27)(H,30,31)/t15-/m0/s1
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n/an/a 2.81E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode ...


ACS Med Chem Lett 4: 402-7 (2013)


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


(Homo sapiens (Human))
BDBM50525186
PNG
(CHEMBL4566832)
Show SMILES CC1(CC(O)=O)CSC(N)=N1
Show InChI InChI=1S/C6H10N2O2S/c1-6(2-4(9)10)3-11-5(7)8-6/h2-3H2,1H3,(H2,7,8)(H,9,10)
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 9...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50525193
PNG
(CHEMBL4455221)
Show SMILES C[C@H]([C@H]1CSC(N)=N1)C(O)=O
Show InChI InChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4-/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 9...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50492301
PNG
(CHEMBL2398116)
Show SMILES CNC(=O)C1=CCC(N)C1
Show InChI InChI=1S/C7H12N2O/c1-9-7(10)5-2-3-6(8)4-5/h2,6H,3-4,8H2,1H3,(H,9,10)
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n/an/a 4.08E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM50492300
PNG
(CHEMBL2398117)
Show SMILES CCCNC(=O)C1=CCC(N)C1
Show InChI InChI=1S/C9H16N2O/c1-2-5-11-9(12)7-3-4-8(10)6-7/h3,8H,2,4-6,10H2,1H3,(H,11,12)
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n/an/a 5.70E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...


J Med Chem 56: 5626-30 (2013)


Article DOI: 10.1021/jm4006548
BindingDB Entry DOI: 10.7270/Q20K2CHH
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
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/a>8.00E+5n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


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


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 (Human))
BDBM50374649
PNG
(CHEMBL257442)
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+/m1/s1
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n/an/a 8.90E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist 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 receptor rho-2 subunit


(Homo sapiens (Human))
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 (Human))
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 (Human))
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-C receptor


(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 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 (Human))
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 (Human))
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 (Human))
BDBM50052794
PNG
(CHEMBL3322871)
Show SMILES CCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/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 (Human))
BDBM50052795
PNG
(CHEMBL3322872)
Show SMILES CCCCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/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 (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/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 (Human))
BDBM50052798
PNG
(CHEMBL3322877)
Show SMILES CCCCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/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 (Human))
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 (Human))
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 (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 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 (Human))
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
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