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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 15 member 2' and Ligand = 'BDBM82898'   
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 2


(Homo sapiens (Human))
BDBM82898
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
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MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
8.30E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Rattus norvegicus)
BDBM82898
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
PDB

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KEGG

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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
8.30E+6n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells


Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair