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BDBM47853 2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]phenyl] ester::4-bromo-2-[3-(4-methylphenyl)acryloyl]phenyl 2-furoate::MLS000575689::SMR000196723::[4-bromanyl-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate::[4-bromo-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] furan-2-carboxylate::cid_5735038::furan-2-carboxylic acid [4-bromo-2-[(E)-3-(p-tolyl)acryloyl]phenyl] ester

SMILES: Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1

InChI Key: InChIKey=HTNFEIWELRNDAT-CSKARUKUSA-N

Data: 4 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 4 hits for monomerid = 47853   
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
3C-like protease


(Avian infectious bronchitis virus)
BDBM47853
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methyl...)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.12E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM47853
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methyl...)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+
KEGG

UniProtKB/SwissProt

GoogleScholar
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UniChem

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PCBioAssay
n/an/a 922n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM47853
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methyl...)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+
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PCBioAssay
n/an/a 684n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM47853
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methyl...)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair