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Compile Data Set for Download or QSAR

Found 465 hits Enz. Inhib. hit(s) with Target = 'Oligopeptide transporter small intestine isoform' AND taxid = 9606   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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
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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9.80E+3n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169122
PNG
((S)-2-((S)-2-Amino-3-biphenyl-4-yl-propionylamino)...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O3/c1-12(18(22)23)20-17(21)16(19)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)(H,22,23)/t12-,16-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136965
PNG
(2-({2-ammonio-3-[4-(benzyloxy)phenyl]propanoyl}ami...)
Show SMILES CC(NC(=O)C([NH3+])Cc1ccc(OCc2ccccc2)cc1)C([O-])=O
Show InChI InChI=1S/C19H22N2O4/c1-13(19(23)24)21-18(22)17(20)11-14-7-9-16(10-8-14)25-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)
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1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169203
PNG
((S)-2-(2-Benzylamino-3-phenyl-propionylamino)-prop...)
Show SMILES C[C@H](NC(=O)C(Cc1ccccc1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H22N2O3/c1-14(19(23)24)21-18(22)17(12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17?/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137005
PNG
(2-{[2-ammonio-3-(4-benzylphenyl)propanoyl]amino}pr...)
Show SMILES CC(NC(=O)C([NH3+])Cc1ccc(Cc2ccccc2)cc1)C([O-])=O
Show InChI InChI=1S/C19H22N2O3/c1-13(19(23)24)21-18(22)17(20)12-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)
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2.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50190616
PNG
((S)-2-((S)-2-benzamido-3-phenylpropanamido)propano...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t13-,16-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [14C]Gly-Sar from human PEPT1 in Caco2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136964
PNG
(2-{[2-ammonio-3-(1,1'-biphenyl-4-yl)propanoyl]amin...)
Show SMILES CC(NC(=O)C([NH3+])Cc1ccc(cc1)-c1ccccc1)C([O-])=O
Show InChI InChI=1S/C18H20N2O3/c1-12(18(22)23)20-17(21)16(19)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11,19H2,1H3,(H,20,21)(H,22,23)
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2.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50085104
PNG
(2-(2-Amino-3-methyl-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C(N)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)
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5.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50142287
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169145
PNG
(1-((S)-2-Amino-propionyl)-piperidine-2-carboxylic ...)
Show SMILES C[C@H](N)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C9H16N2O3/c1-6(10)8(12)11-5-3-2-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)/t6-,7?/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137036
PNG
(1-(2-ammoniopropanoyl)piperidine-2-carboxylate | C...)
Show SMILES CC([NH3+])C(=O)N1CCCCC1C([O-])=O
Show InChI InChI=1S/C9H16N2O3/c1-6(10)8(12)11-5-3-2-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
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6.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137007
PNG
(1-(2-ammonio-3-methylbutanoyl)pyrrolidine-2-carbox...)
Show SMILES CC(C)C([NH3+])C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
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6.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136994
PNG
(2-[(2-ammoniopropanoyl)amino]butanoate | CHEMBL152...)
Show SMILES CCC(NC(=O)C(C)[NH3+])C([O-])=O
Show InChI InChI=1S/C7H14N2O3/c1-3-5(7(11)12)9-6(10)4(2)8/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12)
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7.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells


Biochim Biophys Acta 1240: 1-4 (1996)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50188504
PNG
(Ala-Asp | CHEMBL380047)
Show SMILES C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells


Biochim Biophys Acta 1240: 1-4 (1996)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137050
PNG
(2-[(2-ammoniopropanoyl)amino]hexanoate | CHEMBL152...)
Show SMILES CCCCC(NC(=O)C(C)[NH3+])C([O-])=O
Show InChI InChI=1S/C9H18N2O3/c1-3-4-5-7(9(13)14)11-8(12)6(2)10/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136959
PNG
(2-{[2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino}p...)
Show SMILES CC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C([O-])=O
Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169157
PNG
((S)-2-[(S)-2-Amino-3-(4-benzyloxy-phenyl)-propiony...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C19H22N2O4/c1-13(19(23)24)21-18(22)17(20)11-14-7-9-16(10-8-14)25-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)/t13-,17-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169212
PNG
(2-Amino-N-((S)-2-amino-hexanoyl)-propionamide | CH...)
Show SMILES CCCC[C@H](N)C(=O)NC(=O)[C@H](C)N
Show InChI InChI=1S/C9H19N3O2/c1-3-4-5-7(11)9(14)12-8(13)6(2)10/h6-7H,3-5,10-11H2,1-2H3,(H,12,13,14)/t6-,7-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137000
PNG
(2-[(2-ammonio-3-methylbutanoyl)amino]propanoate | ...)
Show SMILES CC(C)C([NH3+])C(=O)NC(C)C([O-])=O
Show InChI InChI=1S/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169221
PNG
(3-Amino-N-((S)-1-carboxy-ethyl)-succinamic acid (S...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169225
PNG
((S)-2-((S)-2-Amino-3-benzyloxy-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](N)COCc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H18N2O4/c1-9(13(17)18)15-12(16)11(14)8-19-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,11-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136993
PNG
(2-[2-azaniumyl-3-(4-hydroxyphenyl)propanamido]-3-p...)
Show SMILES [NH3+]C(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169129
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169170
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(O)=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)9-15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t12-,14-,15-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169128
PNG
((S)-1-[(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrol...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169215
PNG
(2-{[(S)-1-((S)-2-Amino-4-methyl-pentanoyl)-pyrroli...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C17H32N6O4/c1-10(2)9-11(18)15(25)23-8-4-6-13(23)14(24)22-12(16(26)27)5-3-7-21-17(19)20/h10-13H,3-9,18H2,1-2H3,(H,22,24)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137021
PNG
(2-[(2-ammonio-3-methylbutanoyl)amino]-3-(4-hydroxy...)
Show SMILES CC(C)C([NH3+])C(=O)NC(Cc1ccc(O)cc1)C([O-])=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169153
PNG
((S)-2-[(S)-2-((S)-2-Amino-4-methylsulfanyl-butyryl...)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169169
PNG
((2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]p...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C15H30N6O4/c1-8(2)7-10(16)13(23)20-9(3)12(22)21-11(14(24)25)5-4-6-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t9-,10-,11-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [14C]Gly-Sar from human PEPT1 in Caco2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169217
PNG
((S)-6-Amino-2-((S)-2-amino-3-carboxy-propionylamin...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
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1.08E+5n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells


Biochim Biophys Acta 1240: 1-4 (1996)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169169
PNG
((2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]p...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C15H30N6O4/c1-8(2)7-10(16)13(23)20-9(3)12(22)21-11(14(24)25)5-4-6-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t9-,10-,11-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
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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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169193
PNG
((S)-1-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H23N3O4/c1-11(18)15(21)19-13(10-12-6-3-2-4-7-12)16(22)20-9-5-8-14(20)17(23)24/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169201
PNG
((S)-2-{(2S,3R)-2-[((S)-2-Amino-4-methyl-pentanoyl)...)
Show SMILES CC(C)C[C@H](N)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C17H33N3O5/c1-9(2)7-12(18)16(23)20(6)14(11(5)21)15(22)19-13(17(24)25)8-10(3)4/h9-14,21H,7-8,18H2,1-6H3,(H,19,22)(H,24,25)/t11-,12+,13+,14+/m1/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137030
PNG
(2-(2-Amino-3-phenyl-propionylamino)-3-phenyl-propi...)
Show SMILES [NH3+]C(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50027515
PNG
(2-(2-Amino-3-phenyl-propionylamino)-propionic acid...)
Show SMILES CC(NC(=O)C([NH3+])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)
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50136985
PNG
(1-(2-ammonio-4-methylpentanoyl)pyrrolidine-2-carbo...)
Show SMILES CC(C)CC([NH3+])C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169134
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-3-phen...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50169125
PNG
((S)-6-Amino-2-((S)-2-amino-propionylamino)-hexanoi...)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
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1.17E+5n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells


Biochim Biophys Acta 1240: 1-4 (1996)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50038069
PNG
((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137041
PNG
(2-[(2-ammonio-4-methylpentanoyl)amino]propanoate |...)
Show SMILES CC(C)CC([NH3+])C(=O)NC(C)C([O-])=O
Show InChI InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
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1.20E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50137014
PNG
(2-[(2-ammoniopropanoyl)amino]-3-(4-benzylphenyl)pr...)
Show SMILES CC([NH3+])C(=O)NC(Cc1ccc(Cc2ccccc2)cc1)C([O-])=O
Show InChI InChI=1S/C19H22N2O3/c1-13(20)18(22)21-17(19(23)24)12-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)
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1.20E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


Citation and Details
More data for this
Ligand-Target Pair
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