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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'peters' and Initial = 'ja'   
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-3/gamma-2


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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PubMed
n/an/an/an/a 4.10E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50105783
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@H](C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50105784
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3/t14-/m1/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-mimetic action on Oocytes expressing human alpha-1-beta-3-gamma-2L GABA-A receptor subunits at >=100 uM


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50105786
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)C(C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50105787
PNG
((R)-2-[Bis-(2-methoxy-ethyl)-amino]-butyric acid 2...)
Show SMILES CC[C@@H](N(CCOC)CCOC)C(=O)Oc1c(OC)cc(C)cc1OC
Show InChI InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50105785
PNG
(2-Morpholin-4-yl-propionic acid 2,6-dimethoxy-phen...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1
Show InChI InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 1.98E+5n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair