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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 15 member 1' and Ligand = 'BDBM5025'   
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


(Mus musculus)
BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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Article
PubMed
n/an/a 1.07E+7n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation...


Drug Metab Dispos 40: 1328-35 (2012)


Article DOI: 10.1124/dmd.111.044263
BindingDB Entry DOI: 10.7270/Q2DZ0B1K
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Rattus norvegicus)
BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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Article
PubMed
n/an/a 1.83E+7n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation c...


Drug Metab Dispos 40: 1328-35 (2012)


Article DOI: 10.1124/dmd.111.044263
BindingDB Entry DOI: 10.7270/Q2DZ0B1K
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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UniChem

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DrugBank
Article
PubMed
n/an/a 2.74E+7n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation...


Drug Metab Dispos 40: 1328-35 (2012)


Article DOI: 10.1124/dmd.111.044263
BindingDB Entry DOI: 10.7270/Q2DZ0B1K
More data for this
Ligand-Target Pair