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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 15 member 1' and Ligand = 'BDBM50169199'   
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))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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Article
PubMed
1.00E+6n/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))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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PubMed
1.00E+6n/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


(Rattus norvegicus)
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells


Pflugers Arch 440: 679-84 (2000)


Article DOI: 10.1007/s004240000339
BindingDB Entry DOI: 10.7270/Q2CR5X6C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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n/an/a 8.10E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 4.00E+5n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human PEPT1 expressed in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair