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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'steffansen' and Initial = 'b'   
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))
BDBM50420184
PNG
(CHEMBL2074601)
Show SMILES CN(CC(O)=O)C(=O)[C@@H](N)CC(O)C(=O)OCn1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H20N4O8/c1-7-4-18(14(25)16-11(7)22)6-26-13(24)9(19)3-8(15)12(23)17(2)5-10(20)21/h4,8-9,19H,3,5-6,15H2,1-2H3,(H,20,21)(H,16,22,25)/t8-,9?/m0/s1
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2.10E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


J Control Release 86: 279-92 (2003)


BindingDB Entry DOI: 10.7270/Q27H1KVK
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50420183
PNG
(CHEMBL1823468)
Show SMILES CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C16H23N7O7/c1-22(6-10(24)25)15(28)9(17)2-3-11(26)30-5-4-29-8-23-7-19-12-13(23)20-16(18)21-14(12)27/h7,9H,2-6,8,17H2,1H3,(H,24,25)(H3,18,20,21,27)/t9-/m0/s1
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2.80E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


J Control Release 86: 279-92 (2003)


BindingDB Entry DOI: 10.7270/Q27H1KVK
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))
BDBM50418932
PNG
(CHEMBL1807354)
Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)C[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H34N2O6/c29-23(16-19-10-4-1-5-11-19)24(31)17-22(18-36-28(35)21-14-8-3-9-15-21)26(32)30-25(27(33)34)20-12-6-2-7-13-20/h1,3-5,8-11,14-15,20,22-23,25H,2,6-7,12-13,16-18,29H2,(H,30,32)(H,33,34)/p+1/t22-,23-,25-/m0/s1
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4.68E+7n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418933
PNG
(CHEMBL1807356)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H29N3O6/c1-2-9-19(23(30)31)26-22(29)20(15-33-24(32)17-12-7-4-8-13-17)27-21(28)18(25)14-16-10-5-3-6-11-16/h3-8,10-13,18-20H,2,9,14-15,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t18-,19-,20-/m0/s1
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1.23E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418934
PNG
(CHEMBL1807357)
Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H33N3O6/c28-21(16-18-10-4-1-5-11-18)24(31)29-22(17-36-27(35)20-14-8-3-9-15-20)25(32)30-23(26(33)34)19-12-6-2-7-13-19/h1,3-5,8-11,14-15,19,21-23H,2,6-7,12-13,16-17,28H2,(H,29,31)(H,30,32)(H,33,34)/p+1/t21-,22-,23-/m0/s1
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2.45E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418935
PNG
(CHEMBL1807353)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O6/c1-2-9-21(24(30)31)27-23(29)19(16-33-25(32)18-12-7-4-8-13-18)15-22(28)20(26)14-17-10-5-3-6-11-17/h3-8,10-13,19-21H,2,9,14-16,26H2,1H3,(H,27,29)(H,30,31)/p+1/t19-,20-,21-/m0/s1
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2.51E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418931
PNG
(CHEMBL1807351)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H21N3O5/c1-9(15(22)23)17-14(21)12(8-19)18-13(20)11(16)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1
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2.57E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418936
PNG
(CHEMBL1807352)
Show SMILES C[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C23H26N2O6/c1-15(22(28)29)25-21(27)18(14-31-23(30)17-10-6-3-7-11-17)13-20(26)19(24)12-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,24H2,1H3,(H,25,27)(H,28,29)/p+1/t15-,18-,19-/m0/s1
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3.24E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
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