BindingDB logo
myBDB logout

BDBM48806 (5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)thiazolidine-2,4-quinone::(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione::(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione::(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione::3-(4-chlorobenzyl)-5-{4-hydroxy-3-nitro-5-methoxybenzylidene}-1,3-thiazolidine-2,4-dione::MLS000704847::SMR000231699::cid_1231306

SMILES: COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O

InChI Key: InChIKey=UPVSSGFVFPRGOP-NVNXTCNLSA-N

Data: 6 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 6 hits for monomerid = 48806   
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
Eukaryotic translation initiation factor 4 gamma 1


(Homo sapiens (Human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.67E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.39E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.60E+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/Q2NC5ZRN
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.54E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.68E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.21E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair