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PubMed code 9016330

Compile data set for download or QSAR
Found 9 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
Gamma-aminobutyric acid receptor subunit gamma-1


(Rattus norvegicus)		BDBM50454526
PNG
(CHEMBL3138293)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(C=O)cc1
Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of [35S]TBPS binding in rat brain cortical membranes in the presence of 5 uM GABA in two-component inhibition curve

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1


(Rattus norvegicus)		BDBM50055953
PNG
(1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccccc1O
Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [35S]-TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical membranes in the presence of 5 uM GABA (low aff...

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50454528
PNG
(CHEMBL3138292)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C29H38O3/c1-19(30)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(31)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,31-32H,6,9-11,13-14,16-18H2,1-3H3/t21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50454531
PNG
(CHEMBL3138433)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12[H])C#Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C30H38O3/c1-19(31)22-6-4-21(5-7-22)12-16-30(33)17-14-24-23(18-30)8-9-26-25(24)13-15-29(3)27(20(2)32)10-11-28(26)29/h4-7,23-28,33H,8-11,13-15,17-18H2,1-3H3/t23-,24+,25-,26-,27-,28+,29-,30-/m1/s1
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n/an/an/an/a 8.20n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50055963
PNG
(1-[(3R,5R,10S,13S,17S)-3-(4-Acetyl-phenylethynyl)-...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C31H40O3/c1-20(32)23-7-5-22(6-8-23)13-16-31(34)18-17-29(3)24(19-31)9-10-25-27-12-11-26(21(2)33)30(27,4)15-14-28(25)29/h5-8,24-28,34H,9-12,14-15,17-19H2,1-4H3/t24-,25+,26-,27+,28+,29+,30-,31-/m1/s1
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n/an/an/an/a 6.60n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50454526
PNG
(CHEMBL3138293)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(C=O)cc1
Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1
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n/an/an/an/a 31n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50454529
PNG
(CHEMBL3138315)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3/t21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50055953
PNG
(1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccccc1O
Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50454527
PNG
(CHEMBL3138291)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C31H43NO2/c1-21(33)26-12-13-27-25-11-8-23-20-31(34,17-14-22-6-9-24(10-7-22)32(4)5)19-18-29(23,2)28(25)15-16-30(26,27)3/h6-7,9-10,23,25-28,34H,8,11-13,15-16,18-20H2,1-5H3/t23-,25+,26-,27+,28+,29+,30-,31-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor

J Med Chem 40: 73-84 (1997)


Article DOI: 10.1021/jm9605344
BindingDB Entry DOI: 10.7270/Q2CN731X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%