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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'szabo' and Initial = 'al'   
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 alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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PubMed
n/an/an/an/a 1.23E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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Article
PubMed
n/an/an/an/a 450n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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Article
PubMed
n/an/an/an/a 200n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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Article
PubMed
n/an/an/an/a 250n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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CHEMBL
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Article
PubMed
n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
PDB

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antibodypedia
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UniChem

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Article
PubMed
n/an/an/an/a 70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
UniProtKB/SwissProt

antibodypedia
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 770n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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CHEMBL
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Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair