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BDBM50264188 2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid::CHEMBL443733

SMILES: CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1

InChI Key: InChIKey=RZQIBGXCHZEONC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50264188   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50264188
PNG
(2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid |...)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay


Bioorg Med Chem Lett 18: 4963-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.030
BindingDB Entry DOI: 10.7270/Q2V124M6
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50264188
PNG
(2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid |...)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 4963-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.030
BindingDB Entry DOI: 10.7270/Q2V124M6
More data for this
Ligand-Target Pair