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Compile Data Set for Download or QSAR

Found 91 hits of ic50 data for polymerid = 50007107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532381
PNG
(CHEMBL4538666)
Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of [14C]-L-leucine uptake at LAT1 in human HT-29 cells after 1 hr by liquid scintillation counting


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532381
PNG
(CHEMBL4538666)
Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of [14C]-L-leucine uptake at LAT1 in human HT-29 cells after 1 hr by liquid scintillation counting


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532381
PNG
(CHEMBL4538666)
Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of [14C]-L-leucine uptake at LAT1 in human YD-38 cells after 1 hr by liquid scintillation counting


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532381
PNG
(CHEMBL4538666)
Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of [14C]-L-leucine uptake at LAT1 in human YD-38 cells after 1 hr by liquid scintillation counting


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50528545
PNG
(CHEMBL4526588)
Show SMILES FC(F)(F)Oc1ccc(\N=c2/ssnc2Cl)nc1
Show InChI InChI=1S/C8H3ClF3N3OS2/c9-6-7(17-18-15-6)14-5-2-1-4(3-13-5)16-8(10,11)12/h1-3H/b14-7-
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n/an/a 980n/an/an/an/an/an/a



Maharaja Ranjit Singh Punjab Technical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LAT1


Eur J Med Chem 180: 486-508 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.043
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50174344
PNG
(CHEMBL58129)
Show SMILES N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Nebraska Kearney

Curated by ChEMBL


Assay Description
Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin after 3 mins by scintillation counting based cis-i...


Bioorg Med Chem Lett 26: 2616-2621 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.023
BindingDB Entry DOI: 10.7270/Q2ZS2ZFD
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50174344
PNG
(CHEMBL58129)
Show SMILES N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50174345
PNG
(CHEMBL3809112)
Show SMILES N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11,17H2,(H,18,19)/t15-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Nebraska Kearney

Curated by ChEMBL


Assay Description
Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin after 3 mins by scintillation counting based cis-i...


Bioorg Med Chem Lett 26: 2616-2621 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.023
BindingDB Entry DOI: 10.7270/Q2ZS2ZFD
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50174345
PNG
(CHEMBL3809112)
Show SMILES N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11,17H2,(H,18,19)/t15-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50174343
PNG
(CHEMBL3809645)
Show SMILES N[C@@H](Cc1ccc(O)c(Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C16H17NO3/c17-14(16(19)20)10-12-6-7-15(18)13(9-12)8-11-4-2-1-3-5-11/h1-7,9,14,18H,8,10,17H2,(H,19,20)/t14-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Nebraska Kearney

Curated by ChEMBL


Assay Description
Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin after 3 mins by scintillation counting based cis-i...


Bioorg Med Chem Lett 26: 2616-2621 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.023
BindingDB Entry DOI: 10.7270/Q2ZS2ZFD
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
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US Patent
n/an/a 1.04E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463188
PNG
(CHEMBL4248463)
Show SMILES CC(C)(C)OC(=O)c1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)10-6-4-5-9(7-10)8-11(15)12(16)17/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532380
PNG
(CHEMBL4522605)
Show SMILES CNC(=O)COc1ccc(cc1)-c1c(C#N)c(NC(=O)c2cccc(C[C@H](N)C(O)=O)c2)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C32H25N7O5/c1-36-27(40)17-44-21-11-9-19(10-12-21)28-22(15-33)29-37-25-7-2-3-8-26(25)39(29)30(23(28)16-34)38-31(41)20-6-4-5-18(13-20)14-24(35)32(42)43/h2-13,24H,14,17,35H2,1H3,(H,36,40)(H,38,41)(H,42,43)/t24-/m0/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Competitive inhibition of [14C]-L-leucine uptake at LAT1 in human MCF7 cells preincubated for 5 mins followed by addition of substrate measured durin...


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50532380
PNG
(CHEMBL4522605)
Show SMILES CNC(=O)COc1ccc(cc1)-c1c(C#N)c(NC(=O)c2cccc(C[C@H](N)C(O)=O)c2)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C32H25N7O5/c1-36-27(40)17-44-21-11-9-19(10-12-21)28-22(15-33)29-37-25-7-2-3-8-26(25)39(29)30(23(28)16-34)38-31(41)20-6-4-5-18(13-20)14-24(35)32(42)43/h2-13,24H,14,17,35H2,1H3,(H,36,40)(H,38,41)(H,42,43)/t24-/m0/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Competitive inhibition of [14C]-L-leucine uptake at LAT1 in human MCF7 cells preincubated for 5 mins followed by addition of substrate measured durin...


J Med Chem 59: 5740-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00190
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM181118
PNG
(US9138393, Histidine | US9144538, Histidine)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(O)=O
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KEGG
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463321
PNG
(CHEMBL4239455)
Show SMILES Cl.N[C@@H](Cc1ccc(OC(=O)NCCc2ccc(O)c(O)c2)cc1)C(O)=O
Show InChI InChI=1S/C18H20N2O6.ClH/c19-14(17(23)24)9-11-1-4-13(5-2-11)26-18(25)20-8-7-12-3-6-15(21)16(22)10-12;/h1-6,10,14,21-22H,7-9,19H2,(H,20,25)(H,23,24);1H/t14-;/m0./s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of LAT1-mediated [14C]-L-leucine uptake in human MCF7 cells after 5 mins by liquid scintillation counting method


Bioorg Med Chem Lett 28: 2856-2860 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.030
BindingDB Entry DOI: 10.7270/Q2WM1H2C
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463211
PNG
(CHEMBL4244215)
Show SMILES N[C@@H](Cc1cccc(c1)C(=O)OCCO)C(O)=O
Show InChI InChI=1S/C12H15NO5/c13-10(11(15)16)7-8-2-1-3-9(6-8)12(17)18-5-4-14/h1-3,6,10,14H,4-5,7,13H2,(H,15,16)/t10-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463322
PNG
(CHEMBL4242544)
Show SMILES Cl.NC(Cc1cccc(c1)C(=O)NCCc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C18H20N2O5.ClH/c19-14(18(24)25)9-12-2-1-3-13(8-12)17(23)20-7-6-11-4-5-15(21)16(22)10-11;/h1-5,8,10,14,21-22H,6-7,9,19H2,(H,20,23)(H,24,25);1H
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n/an/a 3.24E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of LAT1-mediated [14C]-L-leucine uptake in human MCF7 cells after 5 mins by liquid scintillation counting method


Bioorg Med Chem Lett 28: 2856-2860 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.030
BindingDB Entry DOI: 10.7270/Q2WM1H2C
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463202
PNG
(CHEMBL4241703)
Show SMILES COC(=O)c1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-3-7(5-8)6-9(12)10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340669
PNG
(US9771316, Example 68)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C18H19F4NO2/c19-15-12-14(9-10-17(15)25-18(20,21)22)24-16(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,16H,4-5,8,11,23H2/t16-/m1/s1
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US Patent
n/an/a 3.64E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
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n/an/a 3.66E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340542
PNG
(US9771316, Example 44)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
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US Patent
n/an/a 3.94E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM36161
PNG
(D-phenylalanine)
Show SMILES N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340549
PNG
(US9771316, Example 48)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2
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n/an/a 5.66E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340539
PNG
(US9771316, Example 26)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1
Show InChI InChI=1S/C21H29NO/c1-3-17(2)18-12-14-20(15-13-18)23-21(11-7-8-16-22)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21H,3,7-8,11,16,22H2,1-2H3
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US Patent
n/an/a 5.70E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340532
PNG
(US9771316, Example 1)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
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n/an/a 5.75E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340661
PNG
(US9771316, Example 66)
Show SMILES NCCCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
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n/an/a 6.28E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340536
PNG
(US9771316, Example 12)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C18H19F4NO/c19-15-5-3-4-13(12-15)17(6-1-2-11-23)24-16-9-7-14(8-10-16)18(20,21)22/h3-5,7-10,12,17H,1-2,6,11,23H2
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US Patent
n/an/a 6.30E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463208
PNG
(CHEBI:16414 | L-Valine | NSC-76038 | VALINE | Vali...)
Show SMILES CC(C)[C@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM18129
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463186
PNG
(CHEMBL4242404)
Show SMILES N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Nebraska at Kearney

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...


Bioorg Med Chem Lett 29: 2254-2258 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.033
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340671
PNG
(US9771316, Example 69)
Show SMILES NCCCC[C@H](Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2/t17-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463186
PNG
(CHEMBL4242404)
Show SMILES N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Nebraska at Kearney

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...


Bioorg Med Chem Lett 29: 2254-2258 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.033
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463203
PNG
(CHEMBL4242607)
Show SMILES COC(=O)Cc1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H15NO4/c1-17-11(14)7-9-4-2-3-8(5-9)6-10(13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)/t10-/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340540
PNG
(US9771316, Example 29)
Show SMILES NCCCCC(Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2
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US Patent
n/an/a 7.60E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463191
PNG
(CHEMBL4251478)
Show SMILES N[C@@H](Cc1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50219348
PNG
((2S)-2-amino-4-methylpentanoic acid | (S)-(+)-leuc...)
Show SMILES CC(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340533
PNG
(US9771316, Example 6)
Show SMILES NCCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H22F3NO/c20-19(21,22)16-10-12-17(13-11-16)24-18(9-5-2-6-14-23)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18H,2,5-6,9,14,23H2
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n/an/a 8.91E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463201
PNG
(CHEMBL4239335)
Show SMILES CC(=O)c1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C11H13NO3/c1-7(13)9-4-2-3-8(5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
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n/an/a 9.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463196
PNG
(CHEMBL4241017)
Show SMILES COC(=O)c1cc(C)cc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C12H15NO4/c1-7-3-8(6-10(13)11(14)15)5-9(4-7)12(16)17-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)/t10-/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463200
PNG
(CHEMBL4240451)
Show SMILES CNC(=O)c1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C11H14N2O3/c1-13-10(14)8-4-2-3-7(5-8)6-9(12)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340668
PNG
(US9771316, Example 67)
Show SMILES NCCCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m0/s1
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US Patent
n/an/a 9.62E+4n/an/an/an/an/an/a



Osaka University

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)


BindingDB Entry DOI: 10.7270/Q2X0694S
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463209
PNG
(CHEMBL4249170)
Show SMILES N[C@@H](Cc1ccncc1)C(O)=O
Show InChI InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM60928
PNG
(BDBM50130192 | L-3,4-dihydroxyphenylalanine | L-DO...)
Show SMILES N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
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KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of LAT1-mediated [14C]-L-leucine uptake in human MCF7 cells after 5 mins by liquid scintillation counting method


Bioorg Med Chem Lett 28: 2856-2860 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.030
BindingDB Entry DOI: 10.7270/Q2WM1H2C
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463209
PNG
(CHEMBL4249170)
Show SMILES N[C@@H](Cc1ccncc1)C(O)=O
Show InChI InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Nebraska at Kearney

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...


Bioorg Med Chem Lett 29: 2254-2258 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.033
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463199
PNG
(CHEMBL4247184)
Show SMILES N[C@@H](Cc1cccc(N)c1)C(O)=O
Show InChI InChI=1S/C9H12N2O2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM181118
PNG
(US9138393, Histidine | US9144538, Histidine)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(O)=O
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KEGG
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Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of Nebraska at Kearney

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...


Bioorg Med Chem Lett 29: 2254-2258 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.033
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463210
PNG
(CHEMBL4248453)
Show SMILES CC(=O)Nc1cccc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-3-8(5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair
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