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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'burkhart' and Initial = 'dj'   
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
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378670
PNG
(CHEMBL600474)
Show SMILES N[C@@H](Cc1c(CCc2ccc3ccccc3c2)onc1C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H18N2O5/c20-15(18(22)23)10-14-16(26-21-17(14)19(24)25)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9,15H,6,8,10,20H2,(H,22,23)(H,24,25)/t15-/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
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5.90E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,18,19)
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6.00E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378667
PNG
(CHEMBL604574)
Show SMILES CC(N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C15H11F6N3O3/c1-6(11-7(2)27-24-12(11)13(25)26)22-23-10-4-8(14(16,17)18)3-9(5-10)15(19,20)21/h3-6H,1-2H3,(H,25,26)
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6.40E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378668
PNG
(CHEMBL606915)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(CCc2ccc3ccccc3c2)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C24H19N5O7/c1-14(25-26-19-10-9-18(28(32)33)13-20(19)29(34)35)22-21(36-27-23(22)24(30)31)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8-10,12-14H,7,11H2,1H3,(H,30,31)
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1.13E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378669
PNG
(CHEMBL591770)
Show SMILES N[C@@H](Cc1c(CCc2cccc3ccccc23)onc1C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H18N2O5/c20-15(18(22)23)10-14-16(26-21-17(14)19(24)25)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,15H,8-10,20H2,(H,22,23)(H,24,25)/t15-/m0/s1
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1.17E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378665
PNG
(CHEMBL590556)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H11N5O7/c1-6(11-7(2)25-16-12(11)13(19)20)14-15-9-4-3-8(17(21)22)5-10(9)18(23)24/h3-6H,1-2H3,(H,19,20)
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1.47E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
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n/an/a 1.16E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,18,19)
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n/an/a 1.27E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378667
PNG
(CHEMBL604574)
Show SMILES CC(N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C15H11F6N3O3/c1-6(11-7(2)27-24-12(11)13(25)26)22-23-10-4-8(14(16,17)18)3-9(5-10)15(19,20)21/h3-6H,1-2H3,(H,25,26)
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n/an/a 1.29E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378668
PNG
(CHEMBL606915)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(CCc2ccc3ccccc3c2)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C24H19N5O7/c1-14(25-26-19-10-9-18(28(32)33)13-20(19)29(34)35)22-21(36-27-23(22)24(30)31)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8-10,12-14H,7,11H2,1H3,(H,30,31)
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n/an/a 2.25E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378665
PNG
(CHEMBL590556)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H11N5O7/c1-6(11-7(2)25-16-12(11)13(19)20)14-15-9-4-3-8(17(21)22)5-10(9)18(23)24/h3-6H,1-2H3,(H,19,20)
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n/an/a 2.90E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair