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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50004753   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 15 member 2


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



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
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
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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3.80E+5n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(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
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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7.10E+5n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


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


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(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
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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8.70E+5n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
BDBM84007
PNG
(CEFIXIME | Cefiximum [Latin] | MLS002222332 | SMR0...)
Show SMILES Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
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n/an/a 3.20E+6n/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in SKPT cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM84007
PNG
(CEFIXIME | Cefiximum [Latin] | MLS002222332 | SMR0...)
Show SMILES Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
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n/an/a 1.00E+7n/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in Caco-2 cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
BDBM50248190
PNG
(CEFDINIR | CHEBI:3485 | CI-983 | Cefdinir | Cefzon...)
Show SMILES Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
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n/an/a 1.00E+7n/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in SKPT cells


Biochim Biophys Acta 1324: 296-308 (1997)


Article DOI: 10.1016/s0005-2736(96)00234-9
BindingDB Entry DOI: 10.7270/Q2N019D0
More data for this
Ligand-Target Pair