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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'Amino acid transporter'   
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=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50140127
PNG
(CHEMBL3754498)
Show SMILES COc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1
Show InChI InChI=1/C34H38N2O6/c1-39-29-13-7-9-25(19-29)23-41-32-15-5-3-11-27(32)21-36(18-17-31(35)34(37)38)22-28-12-4-6-16-33(28)42-24-26-10-8-14-30(20-26)40-2/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/s2
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n/an/a 5.10E+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)
BDBM50140081
PNG
(CHEMBL3752103)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O
Show InChI InChI=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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
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=1/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-/s2
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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=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50140125
PNG
(CHEMBL3753808)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1cccc(Cl)c1)Cc1ccccc1OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1/C32H32Cl2N2O4/c33-27-11-5-7-23(17-27)21-39-30-13-3-1-9-25(30)19-36(16-15-29(35)32(37)38)20-26-10-2-4-14-31(26)40-22-24-8-6-12-28(34)18-24/h1-14,17-18,29H,15-16,19-22,35H2,(H,37,38)/t29-/s2
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n/an/a 1.27E+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)
BDBM50140080
PNG
(CHEMBL3754415)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1cccnc1)Cc1ccccc1OCc1cccnc1)C(O)=O
Show InChI InChI=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50140126
PNG
(CHEMBL3752316)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccc1Cl)Cc1ccccc1OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1/C32H32Cl2N2O4/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-/s2
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n/an/a 1.84E+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)
BDBM50140124
PNG
(CHEMBL3754369)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccc(Cl)cc1)Cc1ccccc1OCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1/C32H32Cl2N2O4/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-/s2
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n/an/a 2.01E+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)
BDBM50140079
PNG
(CHEMBL3753404)
Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1cccc(c1)C(F)(F)F)Cc1ccccc1OCc1cccc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1/C34H32F6N2O4/c35-33(36,37)27-11-5-7-23(17-27)21-45-30-13-3-1-9-25(30)19-42(16-15-29(41)32(43)44)20-26-10-2-4-14-31(26)46-22-24-8-6-12-28(18-24)34(38,39)40/h1-14,17-18,29H,15-16,19-22,41H2,(H,43,44)/t29-/s2
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n/an/a 2.25E+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)
BDBM50140132
PNG
(CHEMBL3752943)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccc(Cl)cc1)Cc1ccccc1Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1/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-/s2
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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
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=1/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-/s2
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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=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50140128
PNG
(CHEMBL3752494)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccn1)Cc1ccccc1Oc1ccccn1)C(O)=O
Show InChI InChI=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50088537
PNG
(CHEMBL6251 | US10189805, Compound 1)
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=1/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-/s2
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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
Amino acid transporter


(Rattus norvegicus)
BDBM50234288
PNG
(CHEMBL4085113)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)CN1
Show InChI InChI=1/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/s2
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3.00E+3n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234283
PNG
(CHEMBL4060165)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Br)CN1
Show InChI InChI=1/C12H14BrNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/s2
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2.50E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234285
PNG
(CHEMBL4083894)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1
Show InChI InChI=1/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/s2
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3.00E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234284
PNG
(CHEMBL4083473)
Show SMILES Cl.Cc1ccccc1C[C@H]1CN[C@@H](C1)C(O)=O
Show InChI InChI=1/C13H17NO2.ClH/c1-9-4-2-3-5-11(9)6-10-7-12(13(15)16)14-8-10;/h2-5,10,12,14H,6-8H2,1H3,(H,15,16);1H/t10-,12+;/s2
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3.80E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234291
PNG
(CHEMBL4068819)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)c(F)c2)CN1
Show InChI InChI=1/C12H13F2NO2.ClH/c13-9-2-1-7(4-10(9)14)3-8-5-11(12(16)17)15-6-8;/h1-2,4,8,11,15H,3,5-6H2,(H,16,17);1H/t8-,11+;/s2
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7.30E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234287
PNG
(CHEMBL4100876)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CN1
Show InChI InChI=1/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-2-8(5-10)4-9-6-11(12(18)19)17-7-9;/h1-3,5,9,11,17H,4,6-7H2,(H,18,19);1H/t9-,11+;/s2
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7.70E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234280
PNG
(CHEMBL4071517)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1
Show InChI InChI=1/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/s2
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8.30E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234279
PNG
(CHEMBL4078902)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1
Show InChI InChI=1/C12H14FNO2.ClH/c13-10-3-1-2-8(5-10)4-9-6-11(12(15)16)14-7-9;/h1-3,5,9,11,14H,4,6-7H2,(H,15,16);1H/t9-,11+;/s2
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1.77E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234278
PNG
(CHEMBL4103180)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1
Show InChI InChI=1/C12H14FNO2.ClH/c13-10-3-1-8(2-4-10)5-9-6-11(12(15)16)14-7-9;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9-,11+;/s2
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1.90E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234282
PNG
(CHEMBL4097017)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Cl)CN1
Show InChI InChI=1/C12H14ClNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/s2
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1.95E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234286
PNG
(CHEMBL4064465)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2C(F)(F)F)CN1
Show InChI InChI=1/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-1-3-9(10)5-8-6-11(12(18)19)17-7-8;/h1-4,8,11,17H,5-7H2,(H,18,19);1H/t8-,11+;/s2
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2.20E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234292
PNG
(CHEMBL4080252)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)C(F)(F)F)CN1
Show InChI InChI=1/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/s2
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3.60E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234290
PNG
(CHEMBL4098554)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2[N+]([O-])=O)CN1
Show InChI InChI=1/C12H14N2O4.ClH/c15-12(16)10-6-8(7-13-10)5-9-3-1-2-4-11(9)14(17)18;/h1-4,8,10,13H,5-7H2,(H,15,16);1H/t8-,10+;/s2
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3.73E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234289
PNG
(CHEMBL4068036)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2)CN1
Show InChI InChI=1/C12H15NO2.ClH/c14-12(15)11-7-10(8-13-11)6-9-4-2-1-3-5-9;/h1-5,10-11,13H,6-8H2,(H,14,15);1H/t10-,11+;/s2
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2.00E+6n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair