BindingDB logo
myBDB logout

BDBM55075 3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one::4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one::4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-1-(5-methyl-3-isoxazolyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one::5-(4-benzoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methylisoxazol-3-yl)-3-pyrrolin-2-one::MLS001147817::SMR000646996::cid_3496625

SMILES: Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=QZSFSYGREKEVBP-UHFFFAOYSA-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 = 55075   
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)
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.74E+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))
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.98E+3n/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
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.89E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair