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Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50037225   
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
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50085124
PNG
(2-(2-Amino-propionylamino)-propionic acid | 2-[(2-...)
Show SMILES CC(N)C(=O)NC(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)
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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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136981
PNG
(1-[2-ammonio-3-(1H-indol-2-yl)propanoyl]pyrrolidin...)
Show SMILES [NH3+]C(Cc1cc2ccccc2[nH]1)C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)9-11-8-10-4-1-2-5-13(10)18-11/h1-2,4-5,8,12,14,18H,3,6-7,9,17H2,(H,21,22)
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1.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137009
PNG
(1-(2-ammonio-3-phenylpropanoyl)pyrrolidine-2-carbo...)
Show SMILES [NH3+]C(Cc1ccccc1)C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)
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1.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136995
PNG
(1-(2-ammonio-3-hydroxypropanoyl)pyrrolidine-2-carb...)
Show SMILES [NH3+]C(CO)C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C8H14N2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11H,1-4,9H2,(H,13,14)
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1.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137040
PNG
(2-[(2-ammoniopropanoyl)amino]-3-hydroxypropanoate ...)
Show SMILES CC([NH3+])C(=O)NC(CO)C([O-])=O
Show InChI InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
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1.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137004
PNG
(2-[(2-ammoniohexanoyl)amino]propanoate | CHEMBL153...)
Show SMILES CCCCC([NH3+])C(=O)NC(C)C([O-])=O
Show InChI InChI=1S/C9H18N2O3/c1-3-4-5-7(10)8(12)11-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
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1.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137051
PNG
([(2-ammoniopropanoyl)amino]acetate)
Show SMILES CC([NH3+])C(=O)NCC([O-])=O
Show InChI InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
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1.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136989
PNG
(2-[(2-ammonio-3-hydroxypropanoyl)amino]propanoate ...)
Show SMILES CC(NC(=O)C([NH3+])CO)C([O-])=O
Show InChI InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
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1.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137026
PNG
(1-(2-ammonio-5-oxido-5-oxopentanoyl)pyrrolidine-2-...)
Show SMILES [NH3+]C(CCC([O-])=O)C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C10H16N2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)/p-1
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1.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136972
PNG
(2-[(2-ammoniopropanoyl)amino]-3-(4-hydroxyphenyl)p...)
Show SMILES CC([NH3+])C(=O)NC(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)
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1.50E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136987
PNG
(1-(2-ammoniopropanoyl)pyrrolidine-2-carboxylate | ...)
Show SMILES CC([NH3+])C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
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1.50E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136966
PNG
(1-(2-ammoniohexanoyl)pyrrolidine-2-carboxylate | C...)
Show SMILES CCCCC([NH3+])C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C11H20N2O3/c1-2-3-5-8(12)10(14)13-7-4-6-9(13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
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1.60E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136957
PNG
(1-[2-ammonio-3-(4-hydroxyphenyl)propanoyl]pyrrolid...)
Show SMILES [NH3+]C(Cc1ccc(O)cc1)C(=O)N1CCCC1C([O-])=O
Show InChI InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20)
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1.60E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136962
PNG
(2-{[2-ammonio-3-(1H-indol-2-yl)propanoyl]amino}pro...)
Show SMILES CC(NC(=O)C([NH3+])Cc1cc2ccccc2[nH]1)C([O-])=O
Show InChI InChI=1S/C14H17N3O3/c1-8(14(19)20)16-13(18)11(15)7-10-6-9-4-2-3-5-12(9)17-10/h2-6,8,11,17H,7,15H2,1H3,(H,16,18)(H,19,20)
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1.60E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136998
PNG
(2-[(ammonioacetyl)amino]-4-methylpentanoate | CHEM...)
Show SMILES CC(C)CC(NC(=O)C[NH3+])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)
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1.60E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136980
PNG
(CHEMBL154651 | [(2-ammonio-3-mercaptopropanoyl)ami...)
Show SMILES [NH3+]C(CS)C(=O)NCC([O-])=O
Show InChI InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
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2.00E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136976
PNG
(CHEMBL152259 | [(2-ammonio-3-phenylpropanoyl)(meth...)
Show SMILES CN(CC([O-])=O)C(=O)C([NH3+])Cc1ccccc1
Show InChI InChI=1S/C12H16N2O3/c1-14(8-11(15)16)12(17)10(13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,15,16)
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2.10E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137046
PNG
(4-ammonio-5-[(1-methyl-2-oxido-2-oxoethyl)amino]-5...)
Show SMILES CC(NC(=O)C([NH3+])CCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1
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2.50E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137029
PNG
(CHEMBL348602 | [(2-ammoniopropanoyl)(methyl)amino]...)
Show SMILES CC([NH3+])C(=O)N(C)CC([O-])=O
Show InChI InChI=1S/C6H12N2O3/c1-4(7)6(11)8(2)3-5(9)10/h4H,3,7H2,1-2H3,(H,9,10)
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2.50E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137010
PNG
(2-[(2-ammoniopropanoyl)amino]succinate)
Show SMILES CC([NH3+])C(=O)NC(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)/p-1
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2.60E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137052
PNG
(1-(1,1'-biphenyl-3-ylamino)-1-oxopropan-2-aminium)
Show SMILES CC([NH3+])C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-11(16)15(18)17-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,16H2,1H3,(H,17,18)/p+1
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2.90E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136986
PNG
(1-(ammonioacetyl)pyrrolidine-2-carboxylate | CHEMB...)
Show SMILES [NH3+]CC(=O)N1CCCC1C([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)
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3.00E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137047
PNG
(3-[(2-ammoniopropanoyl)amino]benzoate | CHEMBL1521...)
Show SMILES CC([NH3+])C(=O)Nc1cccc(c1)C([O-])=O
Show InChI InChI=1S/C10H12N2O3/c1-6(11)9(13)12-8-4-2-3-7(5-8)10(14)15/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
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3.10E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137038
PNG
(3-ammonio-4-[(1-methyl-2-oxido-2-oxoethyl)amino]-4...)
Show SMILES CC(NC(=O)C([NH3+])CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/p-1
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3.20E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137018
PNG
(2-[(2-ammoniopropanoyl)amino]pentanedioate)
Show SMILES CC([NH3+])C(=O)NC(CCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1
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3.20E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137003
PNG
(2-[(2-ammoniopropanoyl)amino]-3-(1H-imidazol-4-yl)...)
Show SMILES CC([NH3+])C(=O)NC(Cc1cnc[nH]1)C([O-])=O
Show InChI InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
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3.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137011
PNG
(1-(2-ammoniopropanethioyl)pyrrolidine-2-carboxylat...)
Show SMILES CC([NH3+])C(=S)N1CCCC1C([O-])=O
Show InChI InChI=1S/C8H14N2O2S/c1-5(9)7(13)10-4-2-3-6(10)8(11)12/h5-6H,2-4,9H2,1H3,(H,11,12)
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3.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50136991
PNG
(1-[(4-chlorophenyl)amino]-1-oxopropan-2-aminium)
Show SMILES CC([NH3+])C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2O/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,11H2,1H3,(H,12,13)/p+1
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3.30E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137031
PNG
(1-[(4-methylphenyl)amino]-1-oxopropan-2-aminium)
Show SMILES CC([NH3+])C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C10H14N2O/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,11H2,1-2H3,(H,12,13)/p+1
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3.40E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137024
PNG
(2-[(ammonioacetyl)amino]succinate)
Show SMILES [NH3+]CC(=O)NC(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)/p-1
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3.50E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137049
PNG
(2-[(ammonioacetyl)amino]propanoate)
Show SMILES CC(NC(=O)C[NH3+])C([O-])=O
Show InChI InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
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3.80E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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4.00E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50137037
PNG
(2-[(2-ammonio-4-oxido-4-oxobutanoyl)amino]succinat...)
Show SMILES [NH3+]C(CC([O-])=O)C(=O)NC(CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)/p-2
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4.10E+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


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
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