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BDBM80889 2-(3,5-dimethoxyphenyl)-3-[(3,4-dimethylbenzoyl)oxy]quinazolin-4(3H)-one::3,4-dimethylbenzoic acid [2-(3,5-dimethoxyphenyl)-4-keto-quinazolin-3-yl] ester::3,4-dimethylbenzoic acid [2-(3,5-dimethoxyphenyl)-4-oxo-3-quinazolinyl] ester::MLS000584739::SMR000203702::[2-(3,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] 3,4-dimethylbenzoate::[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate::cid_12004875

SMILES: COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(C)c(C)c1

InChI Key: InChIKey=YRKBCJMVPMXTSU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 80889   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM80889
PNG
(2-(3,5-dimethoxyphenyl)-3-[(3,4-dimethylbenzoyl)ox...)
Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C25H22N2O5/c1-15-9-10-17(11-16(15)2)25(29)32-27-23(18-12-19(30-3)14-20(13-18)31-4)26-22-8-6-5-7-21(22)24(27)28/h5-14H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80889
PNG
(2-(3,5-dimethoxyphenyl)-3-[(3,4-dimethylbenzoyl)ox...)
Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C25H22N2O5/c1-15-9-10-17(11-16(15)2)25(29)32-27-23(18-12-19(30-3)14-20(13-18)31-4)26-22-8-6-5-7-21(22)24(27)28/h5-14H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.38E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair