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BDBM61633 2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid::2-[[3-[(4-pentoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid::2-[oxo-[3-[oxo-[4-[oxo(pentoxy)methyl]anilino]methyl]anilino]methyl]benzoic acid::MLS001205154::SMR000514432::The compound has not trivial name.::cid_3110120

SMILES: CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1

InChI Key: InChIKey=LWKSSHLNCJUBSP-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 61633   
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM61633
PNG
(2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]car...)
Show SMILES CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
Show InChI InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
BindingDB Entry DOI: 10.7270/Q2S18434
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61633
PNG
(2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]car...)
Show SMILES CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
Show InChI InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair