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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'GABA-B receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
BDBM50435128
PNG
(CHEMBL2391908)
Show SMILES C[C@H](NCC(=O)CP(O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,21,23-25H,2-6,10-12H2,1H3/t13-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP54626 from human recombinant GABAB1A receptor expressed in CHO cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor


(Homo sapiens)
BDBM50435128
PNG
(CHEMBL2391908)
Show SMILES C[C@H](NCC(=O)CP(O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,21,23-25H,2-6,10-12H2,1H3/t13-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP54626 from human recombinant GABAB1A receptor expressed in CHO cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor


(Homo sapiens)
BDBM50243873
PNG
((-)-(R)-4-Amino-1-cyclopent-1-enyl(methyl)phosphin...)
Show SMILES CP(O)(=O)C1=CC[C@@H](N)C1
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...


Citation and Details
More data for this
Ligand-Target Pair
GABA-B 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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
GABA-B receptor


(Homo sapiens)
BDBM50243874
PNG
((+)-(S)-4-Amino-1-cyclopent-1-enyl(methyl)phosphin...)
Show SMILES CP(O)(=O)C1=CC[C@H](N)C1
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...


Citation and Details
More data for this
Ligand-Target Pair
GABA-B 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 1.70E+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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-B receptor


(Homo sapiens)
BDBM50243872
PNG
((+/-)-4-Amino-1-cyclopent-1-enyl(methyl)phosphinic...)
Show SMILES CP(O)(=O)C1=CCC(N)C1
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...


Citation and Details
More data for this
Ligand-Target Pair