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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 13 member 5' and Ligand = 'BDBM50149233'   
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 13 member 5


(Homo sapiens (Human))
BDBM50149233
PNG
(CHEMBL3769911)
Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01752
BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149233
PNG
(CHEMBL3769911)
Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01752
BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair