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SMILES: COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1

InChI Key: InChIKey=FLJMPWRZFAUOBE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 55197   
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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM55197
PNG
(2-[5-(3,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylm...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
Show InChI InChI=1S/C23H24N4O4S/c1-14(2)12-27-22(28)16-7-5-6-8-17(16)24-23(27)32-13-20-25-26-21(31-20)15-9-10-18(29-3)19(11-15)30-4/h5-11,14H,12-13H2,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.00E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM55197
PNG
(2-[5-(3,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylm...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
Show InChI InChI=1S/C23H24N4O4S/c1-14(2)12-27-22(28)16-7-5-6-8-17(16)24-23(27)32-13-20-25-26-21(31-20)15-9-10-18(29-3)19(11-15)30-4/h5-11,14H,12-13H2,1-4H3
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PCBioAssay
n/an/a 1.19E+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


(Homo sapiens (Human))
BDBM55197
PNG
(2-[5-(3,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylm...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
Show InChI InChI=1S/C23H24N4O4S/c1-14(2)12-27-22(28)16-7-5-6-8-17(16)24-23(27)32-13-20-25-26-21(31-20)15-9-10-18(29-3)19(11-15)30-4/h5-11,14H,12-13H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.22E+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