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BDBM97184 3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide::MLS003120629::N-[(3,4-dimethoxyphenyl)methyl]-3-(3-pyridinyl)-7-benzofurancarboxamide::N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide::SMR001290021::cid_49778835

SMILES: COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC

InChI Key: InChIKey=JFJPHFGNNOUNGZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 97184   
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
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 126n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair