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PubMed code 19957998

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50308747
PNG
((S)-2-amino-3-methylbutanoic benzoic anhydride | C...)
Show SMILES CC(C)[C@H](N)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C12H15NO3/c1-8(2)10(13)12(15)16-11(14)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3/t10-/m0/s1
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PubMed
n/an/a 3.90E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308748
PNG
((2S,3S)-2-amino-3-methylpentanoic benzoic anhydrid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO3/c1-3-9(2)11(14)13(16)17-12(15)10-7-5-4-6-8-10/h4-9,11H,3,14H2,1-2H3/t9-,11-/m0/s1
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PubMed
n/an/a 6.30E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308745
PNG
(CHEMBL589585 | L-Isoleucine[3-[(Aminoiminomethyl)a...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C14H22N4O2/c1-3-9(2)12(15)13(19)20-8-10-5-4-6-11(7-10)18-14(16)17/h4-7,9,12H,3,8,15H2,1-2H3,(H4,16,17,18)/t9-,12-/m0/s1
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PubMed
n/an/a 6.30E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308744
PNG
(CHEMBL590321 | L-Valine[3-[(Aminoiminomethyl)amino...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C13H20N4O2/c1-8(2)11(14)12(18)19-7-9-4-3-5-10(6-9)17-13(15)16/h3-6,8,11H,7,14H2,1-2H3,(H4,15,16,17)/t11-/m0/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50162073
PNG
((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Show SMILES CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
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PubMed
n/an/a 1.42E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308746
PNG
(CHEMBL603829 | L-Phenylalanine[3-[(Aminoiminomethy...)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#8]-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C17H20N4O2/c18-15(10-12-5-2-1-3-6-12)16(22)23-11-13-7-4-8-14(9-13)21-17(19)20/h1-9,15H,10-11,18H2,(H4,19,20,21)/t15-/m0/s1
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n/an/a 2.33E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308749
PNG
((S)-2-amino-3-phenylpropanoic benzoic anhydride | ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H15NO3/c17-14(11-12-7-3-1-4-8-12)16(19)20-15(18)13-9-5-2-6-10-13/h1-10,14H,11,17H2/t14-/m0/s1
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PubMed
n/an/a>3.00E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50308743
PNG
(CHEMBL590071 | [3-(hydroxymethyl)phenyl]guanidine)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(-[#6]-[#8])c1
Show InChI InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2,(H4,9,10,11)
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Article
PubMed
n/an/a>3.00E+6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells


J Med Chem 53: 624-32 (2010)


Article DOI: 10.1021/jm9011559
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%