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BDBM50149215 CHEMBL3769514

SMILES: CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1

InChI Key: InChIKey=QNFWRHKLBLSSPB-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50149215   
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))
BDBM50149215
PNG
(CHEMBL3769514)
Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)
UniProtKB/SwissProt

GoogleScholar
CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 794n/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))
BDBM50149215
PNG
(CHEMBL3769514)
Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)
UniProtKB/SwissProt

GoogleScholar
CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 800n/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