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Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P20236   
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 receptor subunit alpha-3


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by PDSP Ki Database




J Biol Chem 271: 27902-11 (1996)


Article DOI: 10.1074/jbc.271.44.27902
BindingDB Entry DOI: 10.7270/Q2FF3QV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50293263
PNG
(2-(5-benzyl-2-hydroxyphenyl)-6-methyl-4H-chromen-4...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H18O3/c1-15-7-10-22-18(11-15)21(25)14-23(26-22)19-13-17(8-9-20(19)24)12-16-5-3-2-4-6-16/h2-11,13-14,24H,12H2,1H3
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11n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha3beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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13.9n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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20n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50293262
PNG
(2-(5-benzyl-2-hydroxyphenyl)-6-methylquinolin-4(1H...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H19NO2/c1-15-7-9-20-18(11-15)23(26)14-21(24-20)19-13-17(8-10-22(19)25)12-16-5-3-2-4-6-16/h2-11,13-14,25H,12H2,1H3,(H,24,26)
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31n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha3beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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67.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by PDSP Ki Database




J Biol Chem 271: 27902-11 (1996)


Article DOI: 10.1074/jbc.271.44.27902
BindingDB Entry DOI: 10.7270/Q2FF3QV5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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80.3n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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96n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50293264
PNG
(2-(5-bromo-2-hydroxyphenyl)-6-methylquinolin-4(1H)...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1cc(Br)ccc1O
Show InChI InChI=1S/C16H12BrNO2/c1-9-2-4-13-11(6-9)16(20)8-14(18-13)12-7-10(17)3-5-15(12)19/h2-8,19H,1H3,(H,18,20)
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99n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha3beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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392n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by PDSP Ki Database




J Biol Chem 271: 27902-11 (1996)


Article DOI: 10.1074/jbc.271.44.27902
BindingDB Entry DOI: 10.7270/Q2FF3QV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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3.46E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by PDSP Ki Database




J Biol Chem 271: 27902-11 (1996)


Article DOI: 10.1074/jbc.271.44.27902
BindingDB Entry DOI: 10.7270/Q2FF3QV5
More data for this
Ligand-Target Pair