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Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 50037514   
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))
BDBM50169122
PNG
((S)-2-((S)-2-Amino-3-biphenyl-4-yl-propionylamino)...)
Show SMILES C[C@H](NC(=O)[C@@H](N)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)/t12-,16-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169203
PNG
((S)-2-(2-Benzylamino-3-phenyl-propionylamino)-prop...)
Show SMILES C[C@H](NC(=O)C(Cc1ccccc1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H22N2O3/c1-14(19(23)24)21-18(22)17(12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17?/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50142287
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](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)/t11-,12-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169145
PNG
(1-((S)-2-Amino-propionyl)-piperidine-2-carboxylic ...)
Show SMILES C[C@H](N)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)/t6-,7?/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169157
PNG
((S)-2-[(S)-2-Amino-3-(4-benzyloxy-phenyl)-propiony...)
Show SMILES C[C@H](NC(=O)[C@@H](N)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)/t13-,17-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(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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9.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169225
PNG
((S)-2-((S)-2-Amino-3-benzyloxy-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](N)COCc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H18N2O4/c1-9(13(17)18)15-12(16)11(14)8-19-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,11-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169212
PNG
(2-Amino-N-((S)-2-amino-hexanoyl)-propionamide | CH...)
Show SMILES CCCC[C@H](N)C(=O)NC(=O)[C@H](C)N
Show InChI InChI=1S/C9H19N3O2/c1-3-4-5-7(11)9(14)12-8(13)6(2)10/h6-7H,3-5,10-11H2,1-2H3,(H,12,13,14)/t6-,7-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169221
PNG
(3-Amino-N-((S)-1-carboxy-ethyl)-succinamic acid (S...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169153
PNG
((S)-2-[(S)-2-((S)-2-Amino-4-methylsulfanyl-butyryl...)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169170
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(O)=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)9-15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t12-,14-,15-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169215
PNG
(2-{[(S)-1-((S)-2-Amino-4-methyl-pentanoyl)-pyrroli...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C17H32N6O4/c1-10(2)9-11(18)15(25)23-8-4-6-13(23)14(24)22-12(16(26)27)5-3-7-21-17(19)20/h10-13H,3-9,18H2,1-2H3,(H,22,24)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](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)/t11-,12-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169128
PNG
((S)-1-[(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrol...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169134
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-3-phen...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](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)/t15-,16-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(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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1.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169169
PNG
((2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]p...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C15H30N6O4/c1-8(2)7-10(16)13(23)20-9(3)12(22)21-11(14(24)25)5-4-6-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t9-,10-,11-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169201
PNG
((S)-2-{(2S,3R)-2-[((S)-2-Amino-4-methyl-pentanoyl)...)
Show SMILES CC(C)C[C@H](N)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C17H33N3O5/c1-9(2)7-12(18)16(23)20(6)14(11(5)21)15(22)19-13(17(24)25)8-10(3)4/h9-14,21H,7-8,18H2,1-6H3,(H,19,22)(H,24,25)/t11-,12+,13+,14+/m1/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169193
PNG
((S)-1-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H23N3O4/c1-11(18)15(21)19-13(10-12-6-3-2-4-7-12)16(22)20-9-5-8-14(20)17(23)24/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50038069
PNG
((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169132
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-hydroxy-propi...)
Show SMILES C[C@H](N)C(=O)N[C@@H](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)/t3-,4-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169188
PNG
((S)-2-[(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(O)=O
Show InChI InChI=1S/C14H27N3O4/c1-7(2)6-10(14(20)21)17-12(18)9(5)16-13(19)11(15)8(3)4/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169178
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](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)/t15-,16-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169116
PNG
((S)-2-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H33N3O4/c1-13(2)10-17(20(26)24-18(21(27)28)11-14(3)4)23-19(25)16(22)12-15-8-6-5-7-9-15/h5-9,13-14,16-18H,10-12,22H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t16-,17-,18-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169164
PNG
((S)-2-((S)-2-Amino-3-hydroxy-propionylamino)-propi...)
Show SMILES C[C@H](NC(=O)[C@@H](N)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)/t3-,4-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169121
PNG
((S)-2-{[(S)-1-((S)-2-Amino-propionyl)-pyrrolidine-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(O)=O
Show InChI InChI=1S/C14H25N3O4/c1-8(2)7-10(14(20)21)16-12(18)11-5-4-6-17(11)13(19)9(3)15/h8-11H,4-7,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,10-,11-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(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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1.60E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169140
PNG
((2S,3S)-2-{[(S)-1-((S)-2-Amino-3-hydroxy-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C14H25N3O5/c1-3-8(2)11(14(21)22)16-12(19)10-5-4-6-17(10)13(20)9(15)7-18/h8-11,18H,3-7,15H2,1-2H3,(H,16,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169218
PNG
((S)-2-[(S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propio...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c34-25(13-19-16-35-26-10-4-1-7-22(19)26)31(40)38-29(14-20-17-36-27-11-5-2-8-23(20)27)32(41)39-30(33(42)43)15-21-18-37-28-12-6-3-9-24(21)28/h1-12,16-18,25,29-30,35-37H,13-15,34H2,(H,38,40)(H,39,41)(H,42,43)/t25-,29-,30-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169192
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-propiony...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169151
PNG
((S)-1-((S)-2-Amino-4-methyl-pentanoyl)-pyrrolidine...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(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)/t8-,9-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169213
PNG
(CHEMBL371579 | Cys-Gly | Cysteinylglycine | L-Cyst...)
Show SMILES N[C@@H](CS)C(=O)NCC(O)=O |r|
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)/t3-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169207
PNG
((S)-2-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H31N3O5/c1-5-12(4)16(21)18(25)23-17(11(2)3)19(26)22-15(20(27)28)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169202
PNG
((S)-4-Amino-4-{(S)-1-[(S)-1-carboxy-2-(4-hydroxy-p...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H27N3O7/c24-17(10-11-20(28)29)21(30)25-18(12-14-4-2-1-3-5-14)22(31)26-19(23(32)33)13-15-6-8-16(27)9-7-15/h1-9,17-19,27H,10-13,24H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t17-,18-,19-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(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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2.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169115
PNG
((S)-2-{2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionyla...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H24N4O5/c23-17(10-14-11-24-18-4-2-1-3-16(14)18)21(29)25-12-20(28)26-19(22(30)31)9-13-5-7-15(27)8-6-13/h1-8,11,17,19,24,27H,9-10,12,23H2,(H,25,29)(H,26,28)(H,30,31)/t17-,19-/m0/s1
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2.40E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169165
PNG
((S)-2-({(S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H29N3O5/c1-3-12(2)17(20(27)28)22-18(25)16-5-4-10-23(16)19(26)15(21)11-13-6-8-14(24)9-7-13/h6-9,12,15-17,24H,3-5,10-11,21H2,1-2H3,(H,22,25)(H,27,28)/t12?,15-,16-,17-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169155
PNG
((S)-4-Amino-4-((S)-1-carboxy-ethylcarbamoyl)-butyr...)
Show SMILES C[C@H](NC(=O)[C@@H](N)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)/t4-,5-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169149
PNG
((S)-1-[(S)-1-((2S,3S)-2-Amino-3-methyl-pentanoyl)-...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C16H27N3O4/c1-3-10(2)13(17)15(21)18-8-4-6-11(18)14(20)19-9-5-7-12(19)16(22)23/h10-13H,3-9,17H2,1-2H3,(H,22,23)/t10-,11-,12-,13-/m0/s1
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2.80E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(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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3.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169168
PNG
((S)-1-[(S)-2-((S)-2-Amino-4-methyl-pentanoylamino)...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H32N6O4/c1-10(2)9-11(18)14(24)22-12(5-3-7-21-17(19)20)15(25)23-8-4-6-13(23)16(26)27/h10-13H,3-9,18H2,1-2H3,(H,22,24)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169166
PNG
((S)-3-Amino-N-((S)-1-carboxy-ethyl)-succinamic aci...)
Show SMILES C[C@H](NC(=O)[C@@H](N)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)/t3-,4-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169142
PNG
((S)-3-((S)-2,6-Diamino-hexanoylamino)-4-oxo-butyri...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C10H19N3O4/c11-4-2-1-3-8(12)10(17)13-7(6-14)5-9(15)16/h6-8H,1-5,11-12H2,(H,13,17)(H,15,16)/t7-,8-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169138
PNG
((S)-2-((S)-2,6-Diamino-hexanoylamino)-propionic ac...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)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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3.40E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50370586
PNG
(7-(2-(2-amino-4-thiazolyl)-4-carboxy-2-butenoylami...)
Show SMILES Nc1nc(cs1)C(=C\CC(O)=O)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O |r,c:20|
Show InChI InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169197
PNG
(CHEMBL191422 | Tyr-Gly-Gly | {2-[(S)-2-Amino-3-(4-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C13H17N3O5/c14-10(5-8-1-3-9(17)4-2-8)13(21)16-6-11(18)15-7-12(19)20/h1-4,10,17H,5-7,14H2,(H,15,18)(H,16,21)(H,19,20)/t10-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169136
PNG
(CHEMBL297722 | Leu-Gly-Gly | [2-((S)-2-Amino-4-met...)
Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
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3.90E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169127
PNG
((S)-2-((S)-2-Amino-3-carboxy-propionylamino)-succi...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](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)/t3-,4-/m0/s1
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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
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50350474
PNG
(CICLACILLIN | CYCLACILLIN)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
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5.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169173
PNG
((S)-6-Amino-2-((S)-2-amino-4-carboxy-butyrylamino)...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
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5.10E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
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