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BDBM49428 (4-heptoxyphenyl) pyridine-3-carboxylate::3-pyridinecarboxylic acid (4-heptoxyphenyl) ester::MLS000518891::SMR000129311::cid_4456997::nicotinic acid (4-heptoxyphenyl) ester

SMILES: CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1

InChI Key: InChIKey=IWYGDRLKYNYTDM-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 49428   
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
Transcription factor p65


(Homo sapiens (Human))
BDBM49428
PNG
((4-heptoxyphenyl) pyridine-3-carboxylate | 3-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-14-22-17-9-11-18(12-10-17)23-19(21)16-8-7-13-20-15-16/h7-13,15H,2-6,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 161n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM49428
PNG
((4-heptoxyphenyl) pyridine-3-carboxylate | 3-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-14-22-17-9-11-18(12-10-17)23-19(21)16-8-7-13-20-15-16/h7-13,15H,2-6,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM49428
PNG
((4-heptoxyphenyl) pyridine-3-carboxylate | 3-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-14-22-17-9-11-18(12-10-17)23-19(21)16-8-7-13-20-15-16/h7-13,15H,2-6,14H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.06E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair