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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50026285   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit rho-1


(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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PubMed
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
Gamma-aminobutyric acid receptor subunit rho-1


(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
Gamma-aminobutyric acid receptor subunit rho-1


(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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50243875
PNG
(CHEMBL451118 | cis-3-Amino-cyclobutyl(methyl)phosp...)
Show SMILES CP(O)(O)C1=C[C@@H](N)C1 |r,t:4|
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50243876
PNG
(CHEMBL447036 | trans-3-Amino-cyclobutyl(methyl)pho...)
Show SMILES CP(O)(O)C1=C[C@H](N)C1 |r,t:4|
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50241194
PNG
((1S,2R)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@@H]1C[C@@H]1C(O)=O |r|
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50243927
PNG
((1S,2S)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@H]1C[C@@H]1C(O)=O |r|
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50243926
PNG
((1R,2R)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@@H]1C[C@H]1C(O)=O |r|
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
Gamma-aminobutyric acid receptor subunit rho-1


(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 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
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1


(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 1.70E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAb 1A/2 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
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(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 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
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM50243873
PNG
((-)-(R)-4-Amino-1-cyclopent-1-enyl(methyl)phosphin...)
Show SMILES CP(O)(=O)C1=CC[C@@H](N)C1 |r,t:4|
Show InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3,(H,8,9)/t5-/m1/s1
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n/an/an/an/a 7.19E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAb 1A/2 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
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM50243872
PNG
((+/-)-4-Amino-1-cyclopent-1-enyl(methyl)phosphinic...)
Show SMILES CP(O)(=O)C1=CCC(N)C1 |t:4|
Show InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3,(H,8,9)
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n/an/an/an/a 5.10E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAb 1A/2 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
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM50211642
PNG
(CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...)
Show SMILES CP(O)(=O)C1=CCNCC1 |t:4|
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/an/an/a 5.00E+5n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAb 1A/2 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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50243877
PNG
((1R,2S)-2-(aminomethyl)cyclopropanecarboxylic acid...)
Show SMILES NC[C@H]1C[C@H]1C(O)=O |r|
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
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM50243874
PNG
((+)-(S)-4-Amino-1-cyclopent-1-enyl(methyl)phosphin...)
Show SMILES CP(O)(=O)C1=CC[C@H](N)C1 |r,t:4|
Show InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-3-2-5(7)4-6/h3,5H,2,4,7H2,1H3,(H,8,9)/t5-/m0/s1
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n/an/an/an/a 5.22E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human GABAb 1A/2 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