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PubMed code 24900248

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA-C receptor


(Homo sapiens)
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)
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)
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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PubMed
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)
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-B receptor 1/2


(Homo sapiens)
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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PubMed
n/an/a 3.80E+4n/an/an/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 receptor rho-2 subunit


(Homo sapiens)
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)
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)
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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PubMed
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 receptor alpha-1/beta-2/gamma-2 subunit


(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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PubMed
n/an/a 5.08E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABAA alpha1beta2gamma2L receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced...


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


(Homo sapiens)
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)
PDB

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Article
PubMed
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
* indicates data uncertainty>20%