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Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P36836   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449803
PNG
(CHEMBL4169734)
Show SMILES COc1ccc2cc(CC\C(C)=N\OCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O)ccc2c1 |r|
Show InChI InChI=1S/C24H31N3O6S/c1-15(4-5-17-6-7-19-13-20(31-3)9-8-18(19)12-17)27-33-11-10-32-22(28)14-21(24(29)30)26-23(34)16(2)25/h6-9,12-13,16,21H,4-5,10-11,14,25H2,1-3H3,(H,26,34)(H,29,30)/b27-15+/t16-,21-/m0/s1
UniProtKB/SwissProt

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UniChem
Article
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8.00E+4n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449805
PNG
(CHEMBL4165361)
Show SMILES C[C@H](N)C(=S)N[C@@H](CC(=O)OC[C@@H](O)[C@@H](O)C1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(O)=O |r,c:18|
Show InChI InChI=1S/C19H30N6O10S/c1-6(20)16(36)24-9(17(30)31)4-12(28)34-5-10(27)14(29)15-13(23-7(2)26)8(25-19(21)22)3-11(35-15)18(32)33/h3,6,8-10,13-15,27,29H,4-5,20H2,1-2H3,(H,23,26)(H,24,36)(H,30,31)(H,32,33)(H4,21,22,25)/t6-,8-,9-,10+,13+,14+,15?/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449807
PNG
(CHEMBL4168781)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OC[C@H](NC(=S)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O8S/c1-11(6-8-17(26)32-10-16(22(28)29)25-21(34)13(3)24)5-7-14-19(27)18-15(9-33-23(18)30)12(2)20(14)31-4/h5,13,16,27H,6-10,24H2,1-4H3,(H,25,34)(H,28,29)/b11-5+/t13-,16-/m0/s1
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2.10E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449801
PNG
(CHEMBL4175672)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)OC[C@H](NC(=S)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O4S/c1-11(2)9-14-5-7-15(8-6-14)12(3)19(24)25-10-16(18(22)23)21-17(26)13(4)20/h5-8,11-13,16H,9-10,20H2,1-4H3,(H,21,26)(H,22,23)/t12-,13+,16+/m1/s1
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2.60E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449800
PNG
(CHEMBL4171174)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=S |r|
Show InChI InChI=1S/C12H17N3OS/c1-8(11(14)17)15-12(16)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,17)(H,15,16)/t8-,10-/m0/s1
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3.20E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449799
PNG
(CHEMBL4169847)
Show SMILES CC(C)NC[C@@H](COc1ccc(CC(N)=O)cc1)OC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C21H32N4O6S/c1-12(2)24-10-16(11-30-15-6-4-14(5-7-15)8-18(23)26)31-19(27)9-17(21(28)29)25-20(32)13(3)22/h4-7,12-13,16-17,24H,8-11,22H2,1-3H3,(H2,23,26)(H,25,32)(H,28,29)/t13-,16-,17-/m0/s1
UniProtKB/SwissProt

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Article
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4.40E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449804
PNG
(CHEMBL4161926)
Show SMILES COc1ccc2cc(CC\C(C)=N\OCCOCCOCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O)ccc2c1 |r|
Show InChI InChI=1S/C28H39N3O8S/c1-19(4-5-21-6-7-23-17-24(35-3)9-8-22(23)16-21)31-39-15-13-37-11-10-36-12-14-38-26(32)18-25(28(33)34)30-27(40)20(2)29/h6-9,16-17,20,25H,4-5,10-15,18,29H2,1-3H3,(H,30,40)(H,33,34)/b31-19+/t20-,25-/m0/s1
UniProtKB/SwissProt

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4.60E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449802
PNG
(CHEMBL4172260)
Show SMILES CC(C)c1cccc(C(C)C)c1OC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O4S/c1-10(2)13-7-6-8-14(11(3)4)17(13)25-16(22)9-15(19(23)24)21-18(26)12(5)20/h6-8,10-12,15H,9,20H2,1-5H3,(H,21,26)(H,23,24)/t12-,15-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
9.20E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449798
PNG
(CHEMBL4167811)
Show SMILES C[C@H](N)C(=S)N[C@@H](COC(=O)CC1(CN)CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C15H27N3O4S/c1-10(17)13(23)18-11(14(20)21)8-22-12(19)7-15(9-16)5-3-2-4-6-15/h10-11H,2-9,16-17H2,1H3,(H,18,23)(H,20,21)/t10-,11-/m0/s1
UniProtKB/SwissProt

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Article
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1.01E+6n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Oryctolagus cuniculus)
BDBM50449806
PNG
(CHEMBL4173276)
Show SMILES C[C@H](N)C(=S)N[C@@H](COC(=O)C[C@@H](CN)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C16H22ClN3O4S/c1-9(19)15(25)20-13(16(22)23)8-24-14(21)6-11(7-18)10-2-4-12(17)5-3-10/h2-5,9,11,13H,6-8,18-19H2,1H3,(H,20,25)(H,22,23)/t9-,11-,13-/m0/s1
UniProtKB/SwissProt

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Article
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1.87E+6n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...


Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair