BindingDB logo
myBDB logout

BDBM77501 (5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-4(5H)-one::(5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-2-oxazolin-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4-oxazolone::MLS000585672::SMR000204235::cid_12005122

SMILES: COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=AWAVOWPVYRYKLG-GZTJUZNOSA-N

Data: 2 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 2 hits for monomerid = 77501   
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
Caspase-3


(Homo sapiens (Human))
BDBM77501
PNG
((5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzyl...)
Show SMILES COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H19NO6/c1-23-14-7-5-13(6-8-14)20-21-19(22)17(27-20)11-12-9-15(24-2)18(26-4)16(10-12)25-3/h5-11H,1-4H3/b17-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 420n/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) Affiliation: The Scripps Research Institute, TSR...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z31X4P
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))
BDBM77501
PNG
((5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzyl...)
Show SMILES COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H19NO6/c1-23-14-7-5-13(6-8-14)20-21-19(22)17(27-20)11-12-9-15(24-2)18(26-4)16(10-12)25-3/h5-11H,1-4H3/b17-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.52E+4n/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) Affiliation: The Scripps Research Institute, TSR...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22V2DK6
More data for this
Ligand-Target Pair