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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'lejon' and Initial = 't'   
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))
BDBM50139892
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139894
PNG
(((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139890
PNG
((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152064
PNG
(2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...)
Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139893
PNG
((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...)
Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O
Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/m0/s1
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3.98E+4n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152062
PNG
(2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152063
PNG
(5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...)
Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1
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1.33E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152065
PNG
(3-Amino-4-oxo-heptanedioic acid 1-benzyl ester | C...)
Show SMILES NC(CC(=O)OCc1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)
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4.17E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152066
PNG
(5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1
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9.05E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139892
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139894
PNG
(((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139890
PNG
((S)-5-Amino-4-oxo-6-phenyl-hexanoic acid | CHEMBL1...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152064
PNG
(2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-...)
Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50139893
PNG
((E)-(S)-5-Amino-4-(S)-hydroxy-6-phenyl-hex-2-enoic...)
Show SMILES N[C@@H](Cc1ccccc1)[C@@H](O)\C=C\C(O)=O
Show InChI InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-7,10-11,14H,8,13H2,(H,15,16)/b7-6+/t10-,11-/m0/s1
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n/an/a 4.05E+4n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Concentration required to inhibit the maximum [14C]-Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells


J Med Chem 47: 1060-9 (2004)


Article DOI: 10.1021/jm031022+
BindingDB Entry DOI: 10.7270/Q2DF6QMV
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152062
PNG
(2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-b...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152063
PNG
(5-Amino-6-methyl-4-oxo-heptanoic acid benzyl ester...)
Show SMILES CC(C)[C@H](N)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C15H21NO3/c1-11(2)15(16)13(17)8-9-14(18)19-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10,16H2,1-2H3/t15-/m0/s1
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n/an/a 1.34E+5n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152065
PNG
(3-Amino-4-oxo-heptanedioic acid 1-benzyl ester | C...)
Show SMILES NC(CC(=O)OCc1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)
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n/an/a 4.22E+5n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152066
PNG
(5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1
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n/an/a 9.15E+5n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair