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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50014241   
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))
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))
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))
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