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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 542.6
BDBM50140133
Wt: 512.5
BDBM50140080
Wt: 512.5
BDBM50140081
Wt: 546.6
BDBM50140082
Wt: 546.6
BDBM50140083
Wt: 538.6
BDBM50140084
Wt: 538.6
BDBM50140122
Wt: 538.6
BDBM50140123
Wt: 484.5
BDBM50140128
Wt: 518.5
BDBM50140129
Wt: 518.5
BDBM50140130
Wt: 518.5
BDBM50140131
Wt: 551.4
BDBM50140132
Wt: 542.6
BDBM50140134
Wt: 267.2
BDBM50088537
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   
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
Amino acid transporter


(Rattus norvegicus)
BDBM50140134
PNG
(CHEMBL3753869)
Show SMILES COc1cccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2cccc(OC)c2)c1
Show InChI InChI=1S/C32H34N2O6/c1-37-25-11-7-13-27(19-25)39-30-15-5-3-9-23(30)21-34(18-17-29(33)32(35)36)22-24-10-4-6-16-31(24)40-28-14-8-12-26(20-28)38-2/h3-16,19-20,29H,17-18,21-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140131
PNG
(CHEMBL3752249)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccc1F)Cc1ccccc1Oc1ccccc1F)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-11-3-7-15-28(23)37-26-13-5-1-9-21(26)19-34(18-17-25(33)30(35)36)20-22-10-2-6-14-27(22)38-29-16-8-4-12-24(29)32/h1-16,25H,17-20,33H2,(H,35,36)/t25-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140083
PNG
(CHEMBL3752210)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccc1F)Cc1ccccc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C32H32F2N2O4/c33-27-13-5-1-11-25(27)21-39-30-15-7-3-9-23(30)19-36(18-17-29(35)32(37)38)20-24-10-4-8-16-31(24)40-22-26-12-2-6-14-28(26)34/h1-16,29H,17-22,35H2,(H,37,38)/t29-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140083
PNG
(CHEMBL3752210)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccc1F)Cc1ccccc1OCc1ccccc1F)C(O)=O
Show InChI InChI=1S/C32H32F2N2O4/c33-27-13-5-1-11-25(27)21-39-30-15-7-3-9-23(30)19-36(18-17-29(35)32(37)38)20-24-10-4-8-16-31(24)40-22-26-12-2-6-14-28(26)34/h1-16,29H,17-22,35H2,(H,37,38)/t29-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140081
PNG
(CHEMBL3752103)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)15-18-34(19-23-9-1-3-13-28(23)37-21-25-11-5-7-16-32-25)20-24-10-2-4-14-29(24)38-22-26-12-6-8-17-33-26/h1-14,16-17,27H,15,18-22,31H2,(H,35,36)/t27-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140133
PNG
(CHEMBL3753592)
Show SMILES COc1ccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C32H34N2O6/c1-37-25-11-15-27(16-12-25)39-30-9-5-3-7-23(30)21-34(20-19-29(33)32(35)36)22-24-8-4-6-10-31(24)40-28-17-13-26(38-2)14-18-28/h3-18,29H,19-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140122
PNG
(CHEMBL3754053)
Show SMILES Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(C)c2)c1
Show InChI InChI=1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140122
PNG
(CHEMBL3754053)
Show SMILES Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(C)c2)c1
Show InChI InChI=1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140129
PNG
(CHEMBL3752700)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccc(F)cc1)Cc1ccccc1Oc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-9-13-25(14-10-23)37-28-7-3-1-5-21(28)19-34(18-17-27(33)30(35)36)20-22-6-2-4-8-29(22)38-26-15-11-24(32)12-16-26/h1-16,27H,17-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140082
PNG
(CHEMBL3754059)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccc(F)cc1)Cc1ccccc1OCc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C32H32F2N2O4/c33-27-13-9-23(10-14-27)21-39-30-7-3-1-5-25(30)19-36(18-17-29(35)32(37)38)20-26-6-2-4-8-31(26)40-22-24-11-15-28(34)16-12-24/h1-16,29H,17-22,35H2,(H,37,38)/t29-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140130
PNG
(CHEMBL3752483)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1cccc(F)c1)Cc1ccccc1Oc1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-9-5-11-25(17-23)37-28-13-3-1-7-21(28)19-34(16-15-27(33)30(35)36)20-22-8-2-4-14-29(22)38-26-12-6-10-24(32)18-26/h1-14,17-18,27H,15-16,19-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140133
PNG
(CHEMBL3753592)
Show SMILES COc1ccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C32H34N2O6/c1-37-25-11-15-27(16-12-25)39-30-9-5-3-7-23(30)21-34(20-19-29(33)32(35)36)22-24-8-4-6-10-31(24)40-28-17-13-26(38-2)14-18-28/h3-18,29H,19-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140082
PNG
(CHEMBL3754059)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccc(F)cc1)Cc1ccccc1OCc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C32H32F2N2O4/c33-27-13-9-23(10-14-27)21-39-30-7-3-1-5-25(30)19-36(18-17-29(35)32(37)38)20-26-6-2-4-8-31(26)40-22-24-11-15-28(34)16-12-24/h1-16,29H,17-22,35H2,(H,37,38)/t29-/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140080
PNG
(CHEMBL3754415)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1cccnc1)Cc1ccccc1OCc1cccnc1)C(O)=O
Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)13-16-34(19-25-9-1-3-11-28(25)37-21-23-7-5-14-32-17-23)20-26-10-2-4-12-29(26)38-22-24-8-6-15-33-18-24/h1-12,14-15,17-18,27H,13,16,19-22,31H2,(H,35,36)/t27-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140084
PNG
(CHEMBL3753993)
Show SMILES Cc1ccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C34H38N2O4/c1-25-11-15-27(16-12-25)23-39-32-9-5-3-7-29(32)21-36(20-19-31(35)34(37)38)22-30-8-4-6-10-33(30)40-24-28-17-13-26(2)14-18-28/h3-18,31H,19-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140132
PNG
(CHEMBL3752943)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccc(Cl)cc1)Cc1ccccc1Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C30H28Cl2N2O4/c31-23-9-13-25(14-10-23)37-28-7-3-1-5-21(28)19-34(18-17-27(33)30(35)36)20-22-6-2-4-8-29(22)38-26-15-11-24(32)12-16-26/h1-16,27H,17-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140123
PNG
(CHEMBL3753173)
Show SMILES Cc1ccccc1COc1ccccc1CN(CC[C@H](N)C(O)=O)Cc1ccccc1OCc1ccccc1C
Show InChI InChI=1S/C34H38N2O4/c1-25-11-3-5-15-29(25)23-39-32-17-9-7-13-27(32)21-36(20-19-31(35)34(37)38)22-28-14-8-10-18-33(28)40-24-30-16-6-4-12-26(30)2/h3-18,31H,19-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140132
PNG
(CHEMBL3752943)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccc(Cl)cc1)Cc1ccccc1Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C30H28Cl2N2O4/c31-23-9-13-25(14-10-23)37-28-7-3-1-5-21(28)19-34(18-17-27(33)30(35)36)20-22-6-2-4-8-29(22)38-26-15-11-24(32)12-16-26/h1-16,27H,17-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140131
PNG
(CHEMBL3752249)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccc1F)Cc1ccccc1Oc1ccccc1F)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-11-3-7-15-28(23)37-26-13-5-1-9-21(26)19-34(18-17-25(33)30(35)36)20-22-10-2-6-14-27(22)38-29-16-8-4-12-24(29)32/h1-16,25H,17-20,33H2,(H,35,36)/t25-/m0/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140130
PNG
(CHEMBL3752483)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1cccc(F)c1)Cc1ccccc1Oc1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-9-5-11-25(17-23)37-28-13-3-1-7-21(28)19-34(16-15-27(33)30(35)36)20-22-8-2-4-14-29(22)38-26-12-6-10-24(32)18-26/h1-14,17-18,27H,15-16,19-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 3.63E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140123
PNG
(CHEMBL3753173)
Show SMILES Cc1ccccc1COc1ccccc1CN(CC[C@H](N)C(O)=O)Cc1ccccc1OCc1ccccc1C
Show InChI InChI=1S/C34H38N2O4/c1-25-11-3-5-15-29(25)23-39-32-17-9-7-13-27(32)21-36(20-19-31(35)34(37)38)22-28-14-8-10-18-33(28)40-24-30-16-6-4-12-26(30)2/h3-18,31H,19-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 4.17E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140081
PNG
(CHEMBL3752103)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O
Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)15-18-34(19-23-9-1-3-13-28(23)37-21-25-11-5-7-16-32-25)20-24-10-2-4-14-29(24)38-22-26-12-6-8-17-33-26/h1-14,16-17,27H,15,18-22,31H2,(H,35,36)/t27-/m0/s1
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n/an/a 4.83E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140134
PNG
(CHEMBL3753869)
Show SMILES COc1cccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2cccc(OC)c2)c1
Show InChI InChI=1S/C32H34N2O6/c1-37-25-11-7-13-27(19-25)39-30-15-5-3-9-23(30)21-34(18-17-29(33)32(35)36)22-24-10-4-6-16-31(24)40-28-14-8-12-26(20-28)38-2/h3-16,19-20,29H,17-18,21-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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n/an/a 5.72E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140128
PNG
(CHEMBL3752494)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(O)=O
Show InChI InChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m0/s1
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n/an/a 5.96E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140128
PNG
(CHEMBL3752494)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(O)=O
Show InChI InChI=1S/C28H28N4O4/c29-23(28(33)34)15-18-32(19-21-9-1-3-11-24(21)35-26-13-5-7-16-30-26)20-22-10-2-4-12-25(22)36-27-14-6-8-17-31-27/h1-14,16-17,23H,15,18-20,29H2,(H,33,34)/t23-/m0/s1
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n/an/a 6.82E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140080
PNG
(CHEMBL3754415)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1cccnc1)Cc1ccccc1OCc1cccnc1)C(O)=O
Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)13-16-34(19-25-9-1-3-11-28(25)37-21-23-7-5-14-32-17-23)20-26-10-2-4-12-29(26)38-22-24-8-6-15-33-18-24/h1-12,14-15,17-18,27H,13,16,19-22,31H2,(H,35,36)/t27-/m0/s1
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n/an/a 6.91E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50088537
PNG
(CHEMBL6251)
Show SMILES N[C@@H](CCC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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n/an/a 7.02E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140084
PNG
(CHEMBL3753993)
Show SMILES Cc1ccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C34H38N2O4/c1-25-11-15-27(16-12-25)23-39-32-9-5-3-7-29(32)21-36(20-19-31(35)34(37)38)22-30-8-4-6-10-33(30)40-24-28-17-13-26(2)14-18-28/h3-18,31H,19-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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n/an/a 8.64E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50140129
PNG
(CHEMBL3752700)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccc(F)cc1)Cc1ccccc1Oc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C30H28F2N2O4/c31-23-9-13-25(14-10-23)37-28-7-3-1-5-21(28)19-34(18-17-27(33)30(35)36)20-22-6-2-4-8-29(22)38-26-15-11-24(32)12-16-26/h1-16,27H,17-20,33H2,(H,35,36)/t27-/m0/s1
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n/an/a 1.42E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088537
PNG
(CHEMBL6251)
Show SMILES N[C@@H](CCC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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n/an/a 9.54E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated [3H]glutamine uptake in HEK293 cells after 15 mins by Live-cell glutamine uptake assay


Bioorg Med Chem Lett 25: 113-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.098
BindingDB Entry DOI: 10.7270/Q2CZ38X7
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088537
PNG
(CHEMBL6251)
Show SMILES N[C@@H](CCC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2 (unknown origin)-mediated glutamine transport


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088537
PNG
(CHEMBL6251)
Show SMILES N[C@@H](CCC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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n/an/a 1.20E+6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair