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PubMed code 12036354

Compile data set for download or QSAR
Found 23 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 type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113815
PNG
(4-(2-Naphthalen-1-yl-ethyl)-5-piperidin-4-yl-isoxa...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1cccc2ccccc12
Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-10-12-21-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16,21H,8-13H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50000687
PNG
(2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113817
PNG
(4-(2-Naphthalen-2-yl-ethyl)-5-piperidin-4-yl-isoxa...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113806
PNG
(4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50095533
PNG
(4-(naphthalen-2-ylmethyl)-5-(piperidin-4-yl)isoxaz...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113810
PNG
(4-Naphthalen-1-ylmethyl-5-piperidin-4-yl-isoxazol-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1cccc2ccccc12
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)14-8-10-20-11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,20H,8-12H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113812
PNG
(4-Benzhydryl-5-piperidin-4-yl-isoxazol-3-ol; hydro...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c24-21-19(20(25-23-21)17-11-13-22-14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113824
PNG
(4-Phenethyl-5-piperidin-4-yl-isoxazol-3-ol; hydrob...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1ccccc1
Show InChI InChI=1S/C16H20N2O2/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13/h1-5,13,17H,6-11H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113804
PNG
(4-Anthracen-9-ylmethyl-5-piperidin-4-yl-isoxazol-3...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H22N2O2/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13,15,24H,9-12,14H2,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113813
PNG
(4-Biphenyl-4-ylmethyl-5-piperidin-4-yl-isoxazol-3-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c24-21-19(20(25-23-21)18-10-12-22-13-11-18)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18,22H,10-14H2,(H,23,24)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113803
PNG
(4-Methyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobrom...)
Show SMILES Cc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C9H14N2O2/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113811
PNG
(4-(2,2-Diphenyl-ethyl)-5-piperidin-4-yl-isoxazol-3...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,23H,11-15H2,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113816
PNG
(4-Octyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobromi...)
Show SMILES CCCCCCCCc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-14-15(20-18-16(14)19)13-9-11-17-12-10-13/h13,17H,2-12H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113823
PNG
(4-Butyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobromi...)
Show SMILES CCCCc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C12H20N2O2/c1-2-3-4-10-11(16-14-12(10)15)9-5-7-13-8-6-9/h9,13H,2-8H2,1H3,(H,14,15)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113814
PNG
(4-Cyclohexylmethyl-5-piperidin-4-yl-isoxazol-3-ol;...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CC1CCCCC1
Show InChI InChI=1S/C15H24N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h11-12,16H,1-10H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113808
PNG
(4-Benzyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobrom...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1
Show InChI InChI=1S/C15H18N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113821
PNG
(4-Hexyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobromi...)
Show SMILES CCCCCCc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H24N2O2/c1-2-3-4-5-6-12-13(18-16-14(12)17)11-7-9-15-10-8-11/h11,15H,2-10H2,1H3,(H,16,17)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113805
PNG
(4-(3-Phenyl-propyl)-5-piperidin-4-yl-isoxazol-3-ol...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCCc1ccccc1
Show InChI InChI=1S/C17H22N2O2/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113822
PNG
(5-(4-Methyl-piperidin-4-yl)-isoxazol-3-ol; hydrobr...)
Show SMILES CC1(CCNCC1)c1cc(=O)[nH]o1
Show InChI InChI=1S/C9H14N2O2/c1-9(2-4-10-5-3-9)7-6-8(12)11-13-7/h6,10H,2-5H2,1H3,(H,11,12)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113819
PNG
(4-(4,4-Diphenyl-butyl)-5-piperidin-4-yl-isoxazol-3...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-24-22(23(28-26-24)20-14-16-25-17-15-20)13-7-12-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21,25H,7,12-17H2,(H,26,27)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113818
PNG
(5-Piperidin-4-yl-4-propyl-isoxazol-3-ol; hydrobrom...)
Show SMILES CCCc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C11H18N2O2/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113809
PNG
(4-Ethyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobromi...)
Show SMILES CCc1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%