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SMILES: OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1

InChI Key: InChIKey=YJLRLBPNNUFJEB-UHFFFAOYSA-N

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 3 hits for monomerid = 58417   
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
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM58417
PNG
(2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxaz...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C30H18N2O5S/c33-30(34)22-14-24(31-23-4-2-1-3-21(22)23)17-5-7-18(8-6-17)27-28(32-37-29(27)20-11-12-38-15-20)19-9-10-25-26(13-19)36-16-35-25/h1-15H,16H2,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM58417
PNG
(2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxaz...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C30H18N2O5S/c33-30(34)22-14-24(31-23-4-2-1-3-21(22)23)17-5-7-18(8-6-17)27-28(32-37-29(27)20-11-12-38-15-20)19-9-10-25-26(13-19)36-16-35-25/h1-15H,16H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.26E+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))
BDBM58417
PNG
(2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxaz...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C30H18N2O5S/c33-30(34)22-14-24(31-23-4-2-1-3-21(22)23)17-5-7-18(8-6-17)27-28(32-37-29(27)20-11-12-38-15-20)19-9-10-25-26(13-19)36-16-35-25/h1-15H,16H2,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.81E+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