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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Neutral amino acid transporter B(0)'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088534
PNG
(CHEMBL3576929)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1CN1CCOCC1)C(O)=O
Show InChI InChI=1/C16H23N3O4/c17-13(16(21)22)5-6-15(20)18-14-4-2-1-3-12(14)11-19-7-9-23-10-8-19/h1-4,13H,5-11,17H2,(H,18,20)(H,21,22)/t13-/s2
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 3.12E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088535
PNG
(CHEMBL3576928)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(O)=O
Show InChI InChI=1/C18H17N3O3S/c19-12(18(23)24)9-10-16(22)20-13-6-2-1-5-11(13)17-21-14-7-3-4-8-15(14)25-17/h1-8,12H,9-10,19H2,(H,20,22)(H,23,24)/t12-/s2
UniProtKB/SwissProt

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PubMed
n/an/a 4.36E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088536
PNG
(CHEMBL3576927)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1N1CCOCC1)C(O)=O
Show InChI InChI=1/C15H21N3O4/c16-11(15(20)21)5-6-14(19)17-12-3-1-2-4-13(12)18-7-9-22-10-8-18/h1-4,11H,5-10,16H2,(H,17,19)(H,20,21)/t11-/s2
UniProtKB/SwissProt

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PubMed
n/an/a 6.64E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088531
PNG
(CHEMBL3576943)
Show SMILES N[C@@H](CCC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1/C17H25N3O6S/c18-15(17(22)23)5-6-16(21)19-11-13-3-1-2-4-14(13)12-27(24,25)20-7-9-26-10-8-20/h1-4,15H,5-12,18H2,(H,19,21)(H,22,23)/t15-/s2
UniProtKB/SwissProt

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PubMed
n/an/a 6.77E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088530
PNG
(CHEMBL3576944)
Show SMILES CN1CCN(Cc2ccccc2CNC(=O)CC[C@H](N)C(O)=O)CC1
Show InChI InChI=1/C18H28N4O3/c1-21-8-10-22(11-9-21)13-15-5-3-2-4-14(15)12-20-17(23)7-6-16(19)18(24)25/h2-5,16H,6-13,19H2,1H3,(H,20,23)(H,24,25)/t16-/s2
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PubMed
n/an/a 6.97E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088533
PNG
(CHEMBL3576936)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1N1CCCCC1)C(O)=O
Show InChI InChI=1/C16H23N3O3/c17-12(16(21)22)8-9-15(20)18-13-6-2-3-7-14(13)19-10-4-1-5-11-19/h2-3,6-7,12H,1,4-5,8-11,17H2,(H,18,20)(H,21,22)/t12-/s2
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PubMed
n/an/a 7.76E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens)
BDBM50088532
PNG
(CHEMBL3576940)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1CCc1ccncc1)C(O)=O
Show InChI InChI=1/C18H21N3O3/c19-15(18(23)24)7-8-17(22)21-16-4-2-1-3-14(16)6-5-13-9-11-20-12-10-13/h1-4,9-12,15H,5-8,19H2,(H,21,22)(H,23,24)/t15-/s2
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 8.32E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


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

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Article
PubMed
n/an/a 9.54E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair