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BDBM80913 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(m-tolyl)quinazolin-4-one::2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(3-methylphenyl)quinazolin-4-one::2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(3-methylphenyl)-4-quinazolinone::2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methylphenyl)quinazolin-4-one::MLS000389320::SMR000255593::cid_2537078

SMILES: COc1ccc(cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O

InChI Key: InChIKey=BALGLXVDJIQVRU-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 = 80913   
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))
BDBM80913
PNG
(2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(m-tolyl)qui...)
Show SMILES COc1ccc(cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O
Show InChI InChI=1S/C25H22N2O3S/c1-16-7-6-8-20(13-16)27-24(29)21-9-4-5-10-22(21)26-25(27)31-15-19-14-18(17(2)28)11-12-23(19)30-3/h4-14H,15H2,1-3H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 321n/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))
BDBM80913
PNG
(2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(m-tolyl)qui...)
Show SMILES COc1ccc(cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O
Show InChI InChI=1S/C25H22N2O3S/c1-16-7-6-8-20(13-16)27-24(29)21-9-4-5-10-22(21)26-25(27)31-15-19-14-18(17(2)28)11-12-23(19)30-3/h4-14H,15H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 502n/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