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BDBM50149289 CHEMBL3770497

SMILES: CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=WMQGLFDASHIUBC-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149289   
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 13 member 5


(Homo sapiens (Human))
BDBM50149289
PNG
(CHEMBL3770497)
Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149289
PNG
(CHEMBL3770497)
Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 190n/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)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair