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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'fotiadis' and Initial = 'd'   
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
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 |r|
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))
BDBM50463188
PNG
(CHEMBL4248463)
Show SMILES CC(C)(C)OC(=O)c1cccc(C[C@H](N)C(O)=O)c1 |r|
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))
BDBM181118
PNG
(US9138393, Histidine | US9144538, Histidine)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(O)=O |r|
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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))
BDBM50463211
PNG
(CHEMBL4244215)
Show SMILES N[C@@H](Cc1cccc(c1)C(=O)OCCO)C(O)=O |r|
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))
BDBM50463202
PNG
(CHEMBL4241703)
Show SMILES COC(=O)c1cccc(C[C@H](N)C(O)=O)c1 |r|
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))
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))
BDBM50463208
PNG
(CHEBI:16414 | L-Valine | NSC-76038 | Valine)
Show SMILES CC(C)[C@H](N)C(O)=O |r|
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))
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))
BDBM50463186
PNG
(CHEMBL4242404)
Show SMILES N[C@@H](Cc1cccnc1)C(O)=O |r|
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))
BDBM50463203
PNG
(CHEMBL4242607)
Show SMILES COC(=O)Cc1cccc(C[C@H](N)C(O)=O)c1 |r|
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))
BDBM50463191
PNG
(CHEMBL4251478)
Show SMILES N[C@@H](Cc1cccc(CO)c1)C(O)=O |r|
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))
BDBM50463201
PNG
(CHEMBL4239335)
Show SMILES CC(=O)c1cccc(C[C@H](N)C(O)=O)c1 |r|
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 |r|
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 |r|
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))
BDBM50463209
PNG
(CHEMBL4249170)
Show SMILES N[C@@H](Cc1ccncc1)C(O)=O |r|
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 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))
BDBM50463199
PNG
(CHEMBL4247184)
Show SMILES N[C@@H](Cc1cccc(N)c1)C(O)=O |r|
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))
BDBM50463210
PNG
(CHEMBL4248453)
Show SMILES CC(=O)Nc1cccc(C[C@H](N)C(O)=O)c1 |r|
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
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463194
PNG
(CHEBI:16867 | CHEMBL1234268)
Show SMILES CSCC[C@@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
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n/an/a 1.20E+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))
BDBM50463205
PNG
(CHEMBL4249392)
Show SMILES C[C@](N)(Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)/t10-/m0/s1
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n/an/a 1.30E+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))
BDBM50463214
PNG
(CHEBI:44303 | CHEMBL1232501)
Show SMILES N[C@@H](Cc1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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n/an/a 1.30E+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))
BDBM50463212
PNG
(CHEMBL4238000)
Show SMILES N[C@@H](Cc1cccc(c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
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n/an/a 1.30E+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))
BDBM18140
PNG
((2S,3S)-2-amino-3-methylpentanoic acid | Isoleucin...)
Show SMILES CC[C@H](C)[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
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n/an/a 1.40E+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))
BDBM50463192
PNG
(CHEMBL4244666)
Show SMILES COC(=O)c1cccc(C[C@@H](N)C(O)=O)c1 |r|
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-/m1/s1
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n/an/a 1.50E+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))
BDBM50463195
PNG
(CHEMBL4243343)
Show SMILES N[C@@H](Cc1ccccn1)C(O)=O |r|
Show InChI InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
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n/an/a 1.60E+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))
BDBM21974
PNG
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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n/an/a 1.60E+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))
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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n/an/a 1.70E+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))
BDBM50463190
PNG
(CHEMBL4240267)
Show SMILES N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O |r|
Show InChI InChI=1S/C13H15N3O2/c14-12(13(17)18)6-11-8-16(9-15-11)7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,17,18)/t12-/m0/s1
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n/an/a 1.70E+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))
BDBM50463197
PNG
(CHEBI:50599 | CHEMBL1233327)
Show SMILES Cn1cnc(C[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
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n/an/a 1.90E+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))
BDBM50179725
PNG
((S)-2-amino-3-cyclohexylpropanoic acid | 2-AMINO-3...)
Show SMILES N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a 2.00E+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))
BDBM50463213
PNG
(CHEBI:28225 | D-LEUCINE)
Show SMILES CC(C)C[C@@H](N)C(O)=O |r|
Show InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
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n/an/a 2.20E+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))
BDBM50463206
PNG
(CHEMBL4247580)
Show SMILES CSCC[C@](N)(Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C12H17NO2S/c1-16-8-7-12(13,11(14)15)9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3,(H,14,15)/t12-/m0/s1
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n/an/a 2.40E+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))
BDBM50463204
PNG
(CHEMBL4245490)
Show SMILES COC(=O)c1ccc(C[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-7(3-5-8)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 2.60E+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))
BDBM50179724
PNG
((R)-2-amino-3-cyclohexylpropanoic acid | 3-cyclohe...)
Show SMILES N[C@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
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n/an/a 2.60E+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))
BDBM50463198
PNG
(CHEBI:28479 | CHEMBL1076637 | D-Tyrosine)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(O)=O |r|
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-/m1/s1
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n/an/a 3.80E+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))
BDBM50043799
PNG
((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
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n/an/a 3.80E+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))
BDBM50463187
PNG
(CHEBI:27947 | D-His | D-Histamine | D-Histidine)
Show SMILES N[C@H](Cc1c[nH]cn1)C(O)=O |r|
Show InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
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n/an/a 4.60E+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))
BDBM50463185
PNG
(CHEMBL4244201)
Show SMILES NCc1cccc(C[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C10H14N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
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n/an/a 4.70E+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))
BDBM50463189
PNG
(CHEMBL4248655)
Show SMILES Cc1cc(C[C@H](N)C(O)=O)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C11H13NO4/c1-6-2-7(5-9(12)11(15)16)4-8(3-6)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
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n/an/a 6.80E+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))
BDBM50463193
PNG
(CHEMBL4250045)
Show SMILES C[C@@](N)(Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)/t10-/m1/s1
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n/an/a 8.10E+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
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463207
PNG
(CHEMBL4239366)
Show SMILES CC[C@H](C)[C@@H](N)C(O)=O |r|
Show InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
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antibodypedia
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MCE
KEGG
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PC sid
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UniChem
Article
PubMed
n/an/a>3.00E+6n/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))
BDBM50357216
PNG
(CHEMBL1232398)
Show SMILES CC(C)[C@@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
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antibodypedia
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UniChem

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Article
PubMed
n/an/a>5.00E+7n/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