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Compile Data Set for Download or QSAR

Found 120 hits of ic50 data for polymerid = 50000746,50006293,50006880   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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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+
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+
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+
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188481
PNG
(CHEMBL378907 | Phe-Tyr)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C18H21N3O3/c19-15(10-12-4-2-1-3-5-12)18(24)21-16(17(20)23)11-13-6-8-14(22)9-7-13/h1-9,15-16,22H,10-11,19H2,(H2,20,23)(H,21,24)/t15-,16-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/a<3.98E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PePT1 receptor expressed in HEK cells by FLIPR membrane potential/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
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+
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50081840
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188492
PNG
((S)-2-(2-Amino-acetylamino)-4-methyl-pentanoic aci...)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(O)=O
Show InChI InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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 7.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188503
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propio...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)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 7.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188524
PNG
((S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamin...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188489
PNG
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188526
PNG
((S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamin...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188527
PNG
(CHEMBL210851 | Tyr-Trp)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188508
PNG
((S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188515
PNG
(CHEMBL379810 | Ser-Ser)
Show SMILES N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188528
PNG
(CHEMBL438960 | Gln-Gln)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
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 1.70E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188523
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-ph...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)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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n/an/a 1.70E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188491
PNG
((S)-2-(2-Amino-acetylamino)-3-phenyl-propionic aci...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188496
PNG
((S)-2-((S)-2-Amino-4-methyl-pentanoylamino)-4-meth...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188521
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-methyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188506
PNG
(CHEMBL380174 | Val-Val-Val)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C15H29N3O4/c1-7(2)10(16)13(19)17-11(8(3)4)14(20)18-12(9(5)6)15(21)22/h7-12H,16H2,1-6H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188509
PNG
(Ac-Phe-di-iodo-Tyr | CHEMBL378713)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(I)I
Show InChI InChI=1S/C20H21I2N3O4/c1-13(26)23-17(11-14-5-3-2-4-6-14)19(28)24-18(20(29)25(21)22)12-15-7-9-16(27)10-8-15/h2-10,17-18,27H,11-12H2,1H3,(H,23,26)(H,24,28)/t17-,18-/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188482
PNG
(CHEMBL209341 | Gly-Leu-Gly)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)NCC(O)=O
Show InChI InChI=1S/C10H19N3O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188531
PNG
(CHEMBL208094 | Lys-Val)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
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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n/an/a 2.50E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188479
PNG
((S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamin...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169160
PNG
((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pr...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,11-/m0/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188485
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(1H-indol-3-y...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
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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n/an/a 2.80E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188511
PNG
(Asp-Val | CHEMBL441685)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m0/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
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n/an/a 3.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188519
PNG
(CHEMBL89956 | Tyr-Gly | [(S)-2-Amino-3-(4-hydroxy-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
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n/an/a 3.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188486
PNG
(CHEMBL90452 | His-Gly | [(S)-2-Amino-3-(3H-imidazo...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-6(1-5-2-10-4-12-5)8(15)11-3-7(13)14/h2,4,6H,1,3,9H2,(H,10,12)(H,11,15)(H,13,14)/t6-/m0/s1
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n/an/a 3.40E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
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
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188493
PNG
((S)-2-(2-Amino-acetylamino)-succinic acid | CHEMBL...)
Show SMILES NCC(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
More data for this
Ligand-Target Pair
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