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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'Cystine/glutamate transporter' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50378670
PNG
(CHEMBL600474)
Show SMILES N[C@@H](Cc1c(CCc2ccc3ccccc3c2)onc1C(O)=O)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378667
PNG
(CHEMBL604574)
Show SMILES CC(N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378668
PNG
(CHEMBL606915)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(CCc2ccc3ccccc3c2)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378669
PNG
(CHEMBL591770)
Show SMILES N[C@@H](Cc1c(CCc2cccc3ccccc23)onc1C(O)=O)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378665
PNG
(CHEMBL590556)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126160
PNG
(CHEMBL3629669)
Show SMILES COc1ccc(CN2CCN(CC(=O)c3ccc(OC(C)C)c(c3)-n3c(CN4CCN(CC4)C(=O)COc4ccc(Cl)cc4)nc4ccccc4c3=O)CC2)cc1
Show InChI InChI=1S/C44H49ClN6O6/c1-31(2)57-41-17-10-33(40(52)28-48-20-18-47(19-21-48)27-32-8-13-35(55-3)14-9-32)26-39(41)51-42(46-38-7-5-4-6-37(38)44(51)54)29-49-22-24-50(25-23-49)43(53)30-56-36-15-11-34(45)12-16-36/h4-17,26,31H,18-25,27-30H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126156
PNG
(CHEMBL3629579)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCOCC1
Show InChI InChI=1S/C36H40ClN5O6/c1-25(2)48-33-12-7-26(32(43)22-40-17-19-46-20-18-40)21-31(33)42-34(38-30-6-4-3-5-29(30)36(42)45)23-39-13-15-41(16-14-39)35(44)24-47-28-10-8-27(37)9-11-28/h3-12,21,25H,13-20,22-24H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126159
PNG
(CHEMBL3629668)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCN(CC=C)CC1
Show InChI InChI=1S/C39H45ClN6O5/c1-4-15-42-16-18-43(19-17-42)25-35(47)29-9-14-36(51-28(2)3)34(24-29)46-37(41-33-8-6-5-7-32(33)39(46)49)26-44-20-22-45(23-21-44)38(48)27-50-31-12-10-30(40)11-13-31/h4-14,24,28H,1,15-23,25-27H2,2-3H3
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n/an/a 10n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126155
PNG
(CHEMBL3629578)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H30ClF3N4O5/c1-20(2)45-27-12-7-21(30(42)32(34,35)36)17-26(27)40-28(37-25-6-4-3-5-24(25)31(40)43)18-38-13-15-39(16-14-38)29(41)19-44-23-10-8-22(33)9-11-23/h3-12,17,20H,13-16,18-19H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126162
PNG
(CHEMBL3629671)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126153
PNG
(CHEMBL3629576)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(C)=O
Show InChI InChI=1S/C32H33ClN4O5/c1-21(2)42-29-13-8-23(22(3)38)18-28(29)37-30(34-27-7-5-4-6-26(27)32(37)40)19-35-14-16-36(17-15-35)31(39)20-41-25-11-9-24(33)10-12-25/h4-13,18,21H,14-17,19-20H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126154
PNG
(CHEMBL3629577)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CF
Show InChI InChI=1S/C32H32ClFN4O5/c1-21(2)43-29-12-7-22(28(39)18-34)17-27(29)38-30(35-26-6-4-3-5-25(26)32(38)41)19-36-13-15-37(16-14-36)31(40)20-42-24-10-8-23(33)9-11-24/h3-12,17,21H,13-16,18-20H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126152
PNG
(CHEMBL3629575)
Show SMILES CC(C)Oc1ccc(C=O)cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C31H31ClN4O5/c1-21(2)41-28-12-7-22(19-37)17-27(28)36-29(33-26-6-4-3-5-25(26)31(36)39)18-34-13-15-35(16-14-34)30(38)20-40-24-10-8-23(32)9-11-24/h3-12,17,19,21H,13-16,18,20H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126161
PNG
(CHEMBL3629670)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCNCC1
Show InChI InChI=1S/C36H41ClN6O5/c1-25(2)48-33-12-7-26(32(44)22-40-15-13-38-14-16-40)21-31(33)43-34(39-30-6-4-3-5-29(30)36(43)46)23-41-17-19-42(20-18-41)35(45)24-47-28-10-8-27(37)9-11-28/h3-12,21,25,38H,13-20,22-24H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50376126
PNG
(ERASTIN)
Show SMILES CCOc1ccccc1-n1c(nc2ccccc2c1=O)C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126157
PNG
(CHEMBL3629580)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCN(C)CC1
Show InChI InChI=1S/C37H43ClN6O5/c1-26(2)49-34-13-8-27(33(45)23-41-16-14-40(3)15-17-41)22-32(34)44-35(39-31-7-5-4-6-30(31)37(44)47)24-42-18-20-43(21-19-42)36(46)25-48-29-11-9-28(38)10-12-29/h4-13,22,26H,14-21,23-25H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50126151
PNG
(CHEMBL3629574)
Show SMILES CC(C)Oc1ccc(CN2CCNCC2)cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C35H41ClN6O4/c1-25(2)46-32-12-7-26(22-39-15-13-37-14-16-39)21-31(32)42-33(38-30-6-4-3-5-29(30)35(42)44)23-40-17-19-41(20-18-40)34(43)24-45-28-10-8-27(36)9-11-28/h3-12,21,25,37H,13-20,22-24H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry


Bioorg Med Chem Lett 25: 4787-92 (2015)

More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc-


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc-


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM17663
PNG
((2S)-2-amino-3-(sulfooxy)propanoic acid | L-SOS | ...)
Show SMILES N[C@@H](COS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc-


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50097125
PNG
(2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355002
PNG
(CHEMBL1834954)
Show SMILES OC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C20H14N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,(H,21,22)(H,24,25)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc-


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355004
PNG
(CHEMBL1834956)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O
Show InChI InChI=1S/C20H16N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-13,23H,(H,21,22)(H,24,25)/b5-4+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355009
PNG
(CHEMBL1614646)
Show SMILES Cc1cccnc1NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C21H16N2O5S/c1-14-3-2-12-22-20(14)23-29(27,28)17-9-6-15(7-10-17)4-5-16-8-11-19(24)18(13-16)21(25)26/h2-3,6-13,24H,1H3,(H,22,23)(H,25,26)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355007
PNG
(CHEMBL1834959)
Show SMILES OC(=O)c1cccc(c1)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C20H14N2O4S/c23-20(24)17-5-3-4-16(14-17)8-7-15-9-11-18(12-10-15)27(25,26)22-19-6-1-2-13-21-19/h1-6,9-14H,(H,21,22)(H,23,24)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378667
PNG
(CHEMBL604574)
Show SMILES CC(N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355011
PNG
(CHEMBL1834962)
Show SMILES OC(=O)c1cc(ccc1O)C#Cc1ccccc1
Show InChI InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355010
PNG
(CHEMBL1834961)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccccc1
Show InChI InChI=1S/C13H10N2O3/c16-12-7-6-10(8-11(12)13(17)18)15-14-9-4-2-1-3-5-9/h1-8,16H,(H,17,18)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378668
PNG
(CHEMBL606915)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(CCc2ccc3ccccc3c2)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355012
PNG
(CHEMBL1834963)
Show SMILES OC(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C15H10O2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H,16,17)
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n/an/a 2.70E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50378665
PNG
(CHEMBL590556)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(C)onc1C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355006
PNG
(CHEMBL1834958)
Show SMILES OC(=O)c1cc(CCc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O
Show InChI InChI=1S/C20H18N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,4-5H2,(H,21,22)(H,24,25)
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n/an/a 7.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355003
PNG
(CHEMBL1834955)
Show SMILES COC(=O)c1cc(\C=C\c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O
Show InChI InChI=1S/C21H18N2O5S/c1-28-21(25)18-14-16(9-12-19(18)24)6-5-15-7-10-17(11-8-15)29(26,27)23-20-4-2-3-13-22-20/h2-14,24H,1H3,(H,22,23)/b6-5+
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n/an/a 9.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355008
PNG
(CHEMBL1834960)
Show SMILES OC(=O)c1cccc(CCc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c1
Show InChI InChI=1S/C20H18N2O4S/c23-20(24)17-5-3-4-16(14-17)8-7-15-9-11-18(12-10-15)27(25,26)22-19-6-1-2-13-21-19/h1-6,9-14H,7-8H2,(H,21,22)(H,23,24)
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n/an/a 9.20E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM39340
PNG
(MLS000069725 | SMR000058213 | SULFAPYRIDINE | cid_...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM60918
PNG
(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355001
PNG
(CHEMBL1834953)
Show SMILES COC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C21H16N2O5S/c1-28-21(25)18-14-16(9-12-19(18)24)6-5-15-7-10-17(11-8-15)29(26,27)23-20-4-2-3-13-22-20/h2-4,7-14,24H,1H3,(H,22,23)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM50355005
PNG
(CHEMBL1834957)
Show SMILES COC(=O)c1cc(CCc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O
Show InChI InChI=1S/C21H20N2O5S/c1-28-21(25)18-14-16(9-12-19(18)24)6-5-15-7-10-17(11-8-15)29(26,27)23-20-4-2-3-13-22-20/h2-4,7-14,24H,5-6H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens)
BDBM82251
PNG
((R)-4-Carboxyphenylglycine | (S)-4CPG | CAS_134052...)
Show SMILES N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m1/s1
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AffyNet 
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair