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Compile Data Set for Download or QSAR

Found 6 hits of ec50 data for polymerid = 2457,49000583   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid type B receptor subunit 1


(Homo sapiens (Human))
BDBM86283
PNG
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)
Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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n/an/an/an/a 79n/an/an/an/a



IntelliSyn Pharma

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human GABA-B 1b expressed in CHO cells co-expressing rat GABA-B2 assessed as potentiation of GABA-induced inhibitio...


Bioorg Med Chem Lett 27: 2239-2258 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.084
BindingDB Entry DOI: 10.7270/Q2VT1VJJ
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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 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))
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
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))
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