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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'amidon' and Initial = 'gl'   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370614
PNG
(CHEMBL608788)
Show SMILES CCOc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r|
Show InChI InChI=1S/C23H24BrCl2N3O6/c1-2-33-12-5-3-11(4-6-12)7-15(27)22(32)34-10-18-19(30)20(31)21(35-18)29-17-9-14(26)13(25)8-16(17)28-23(29)24/h3-6,8-9,15,18-21,30-31H,2,7,10,27H2,1H3/t15-,18+,19+,20+,21?/m0/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370616
PNG
(CHEMBL1791442)
Show SMILES CCC(C)[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C18H22BrCl2N3O5/c1-3-7(2)13(22)17(27)28-6-12-14(25)15(26)16(29-12)24-11-5-9(21)8(20)4-10(11)23-18(24)19/h4-5,7,12-16,25-26H,3,6,22H2,1-2H3/t7?,12-,13+,14-,15-,16-/m1/s1
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n/an/a 1.21E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370613
PNG
(CHEMBL607948)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C21H19BrCl3N3O5/c22-21-27-14-6-11(24)12(25)7-15(14)28(21)19-18(30)17(29)16(33-19)8-32-20(31)13(26)5-9-1-3-10(23)4-2-9/h1-4,6-7,13,16-19,29-30H,5,8,26H2/t13-,16+,17+,18+,19?/m0/s1
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n/an/a 1.42E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370608
PNG
(CHEMBL607668)
Show SMILES CC(C)[C@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C17H20BrCl2N3O5/c1-6(2)12(21)16(26)27-5-11-13(24)14(25)15(28-11)23-10-4-8(20)7(19)3-9(10)22-17(23)18/h3-4,6,11-15,24-25H,5,21H2,1-2H3/t11-,12+,13-,14-,15?/m1/s1
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n/an/a 1.66E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370612
PNG
(CHEMBL608238)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C21H20BrCl2N3O5/c22-21-26-14-7-11(23)12(24)8-15(14)27(21)19-18(29)17(28)16(32-19)9-31-20(30)13(25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16-19,28-29H,6,9,25H2/t13-,16+,17+,18+,19?/m0/s1
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n/an/a 2.18E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370611
PNG
(CHEMBL610518)
Show SMILES N[C@@H](CC(O)=O)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C16H16BrCl2N3O7/c17-16-21-8-1-5(18)6(19)2-9(8)22(16)14-13(26)12(25)10(29-14)4-28-15(27)7(20)3-11(23)24/h1-2,7,10,12-14,25-26H,3-4,20H2,(H,23,24)/t7-,10+,12+,13+,14?/m0/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370604
PNG
(CHEMBL609379)
Show SMILES N[C@H](Cc1ccccc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C21H20BrCl2N3O5/c22-21-26-14-7-11(23)12(24)8-15(14)27(21)19-18(29)17(28)16(32-19)9-31-20(30)13(25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16-19,28-29H,6,9,25H2/t13-,16-,17-,18-,19?/m1/s1
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n/an/a 2.82E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370606
PNG
(CHEMBL607680)
Show SMILES COc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r|
Show InChI InChI=1S/C22H22BrCl2N3O6/c1-32-11-4-2-10(3-5-11)6-14(26)21(31)33-9-17-18(29)19(30)20(34-17)28-16-8-13(25)12(24)7-15(16)27-22(28)23/h2-5,7-8,14,17-20,29-30H,6,9,26H2,1H3/t14-,17+,18+,19+,20?/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370607
PNG
(CHEMBL609093)
Show SMILES CC(C)[C@@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C17H20BrCl2N3O5/c1-6(2)12(21)16(26)27-5-11-13(24)14(25)15(28-11)23-10-4-8(20)7(19)3-9(10)22-17(23)18/h3-4,6,11-15,24-25H,5,21H2,1-2H3/t11-,12-,13-,14-,15?/m1/s1
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n/an/a 3.42E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308747
PNG
((S)-2-amino-3-methylbutanoic benzoic anhydride | C...)
Show SMILES CC(C)[C@H](N)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C12H15NO3/c1-8(2)10(13)12(15)16-11(14)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3/t10-/m0/s1
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n/an/a 3.90E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370615
PNG
(CHEMBL607962)
Show SMILES N[C@H](CC(O)=O)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C16H16BrCl2N3O7/c17-16-21-8-1-5(18)6(19)2-9(8)22(16)14-13(26)12(25)10(29-14)4-28-15(27)7(20)3-11(23)24/h1-2,7,10,12-14,25-26H,3-4,20H2,(H,23,24)/t7-,10-,12-,13-,14?/m1/s1
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n/an/a 4.21E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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n/an/a 4.31E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50422694
PNG
(CHEMBL2093921)
Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C12H11BrCl2N2O4/c13-12-16-6-1-4(14)5(15)2-7(6)17(12)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9+,10+,11+/m1/s1
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n/an/a 4.47E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370605
PNG
(CHEMBL607956)
Show SMILES NCCCC[C@H](N)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C18H23BrCl2N4O5/c19-18-24-11-5-8(20)9(21)6-12(11)25(18)16-15(27)14(26)13(30-16)7-29-17(28)10(23)3-1-2-4-22/h5-6,10,13-16,26-27H,1-4,7,22-23H2/t10-,13+,14+,15+,16?/m0/s1
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n/an/a 4.77E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370610
PNG
(CHEMBL608509)
Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)[C@@H]1CCCN1)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C17H18BrCl2N3O5/c18-17-22-10-4-7(19)8(20)5-11(10)23(17)15-14(25)13(24)12(28-15)6-27-16(26)9-2-1-3-21-9/h4-5,9,12-15,21,24-25H,1-3,6H2/t9-,12+,13+,14+,15?/m0/s1
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n/an/a 5.37E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308748
PNG
((2S,3S)-2-amino-3-methylpentanoic benzoic anhydrid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO3/c1-3-9(2)11(14)13(16)17-12(15)10-7-5-4-6-8-10/h4-9,11H,3,14H2,1-2H3/t9-,11-/m0/s1
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n/an/a 6.30E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308745
PNG
(CHEMBL589585 | L-Isoleucine[3-[(Aminoiminomethyl)a...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C14H22N4O2/c1-3-9(2)12(15)13(19)20-8-10-5-4-6-11(7-10)18-14(16)17/h4-7,9,12H,3,8,15H2,1-2H3,(H4,16,17,18)/t9-,12-/m0/s1
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n/an/a 6.30E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308744
PNG
(CHEMBL590321 | L-Valine[3-[(Aminoiminomethyl)amino...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C13H20N4O2/c1-8(2)11(14)12(18)19-7-9-4-3-5-10(6-9)17-13(15)16/h3-6,8,11H,7,14H2,1-2H3,(H4,15,16,17)/t11-/m0/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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n/an/a 1.10E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake, L-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50391005
PNG
(CHEMBL1194823)
Show SMILES NCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C10H14N6O4/c11-3-6(17)20-2-1-19-5-16-4-13-7-8(16)14-10(12)15-9(7)18/h4H,1-3,5,11H2,(H3,12,14,15,18)
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n/an/a 1.40E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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n/an/a 1.42E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308746
PNG
(CHEMBL603829 | L-Phenylalanine[3-[(Aminoiminomethy...)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C17H20N4O2/c18-15(10-12-5-2-1-3-6-12)16(22)23-11-13-7-4-8-14(9-13)21-17(19)20/h1-9,15H,10-11,18H2,(H4,19,20,21)/t15-/m0/s1
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n/an/a 2.33E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308743
PNG
(CHEMBL590071 | [3-(hydroxymethyl)phenyl]guanidine)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(-[#6]-[#8])c1
Show InChI InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2,(H4,9,10,11)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308749
PNG
((S)-2-amino-3-phenylpropanoic benzoic anhydride | ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H15NO3/c17-14(11-12-7-3-1-4-8-12)16(19)20-15(18)13-9-5-2-6-10-13/h1-10,14H,11,17H2/t14-/m0/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
BindingDB Entry DOI: 10.7270/Q2251J90
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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n/an/a 3.40E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake, D-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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n/an/a 4.50E+6n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM42131
PNG
(CEFACLOR | MLS000069617 | SMR000058250 | cid_51039)
Show SMILES N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
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n/an/a 8.20E+6n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139896
PNG
((6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-met...)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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n/an/a 1.37E+7n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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n/an/a 1.50E+7n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370585
PNG
(Anspor | CEPHRADINE | Cefradine)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14|
Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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n/an/a 1.50E+7n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


Pharm Res 15: 1154-9 (1998)


BindingDB Entry DOI: 10.7270/Q2BC40M3
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370585
PNG
(Anspor | CEPHRADINE | Cefradine)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14|
Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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n/an/a 1.53E+7n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(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 |r|
Show InChI InChI=1/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-/s2
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n/an/a 1.41E+8n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM48449
PNG
(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Show SMILES C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
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n/an/a 1.52E+8n/an/an/an/an/an/a



The University of Michigan

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells


J Pharm Sci 88: 347-50 (1999)


Article DOI: 10.1021/js980132e
BindingDB Entry DOI: 10.7270/Q22V2H6H
More data for this
Ligand-Target Pair