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BDBM55068 2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2H-pyrrol-5-one::2-(4-butoxyphenyl)-1-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one::2-(4-butoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one::5-(4-butoxyphenyl)-1-(2-furfuryl)-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one::5-(4-butoxyphenyl)-1-(2-furylmethyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one::MLS001147316::SMR000672577::cid_3291242

SMILES: CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1

InChI Key: InChIKey=ZUYSDPGBHGKERN-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 55068   
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
NS3


(Hepatitis C virus)
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.26E+3n/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/Q2XS5ST3
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.66E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair