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SMILES: O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2OCCOc2c1

InChI Key: InChIKey=MAXYFWBRGLBGHH-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 2 hits for monomerid = 83485   
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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM83485
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15N3O3S2/c24-16(14-6-7-17-18(10-14)26-9-8-25-17)12-28-20-22-21-19-23(20)15(11-27-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM83485
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15N3O3S2/c24-16(14-6-7-17-18(10-14)26-9-8-25-17)12-28-20-22-21-19-23(20)15(11-27-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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/Q2Z31X54
More data for this
Ligand-Target Pair