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SMILES: O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1

InChI Key: InChIKey=MNZAQCDWFYHSAJ-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 = 83682   
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)
BDBM83682
PNG
(2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(2-morpholin-4...)
Show SMILES O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
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)
BDBM83682
PNG
(2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(2-morpholin-4...)
Show SMILES O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.15E+3n/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/Q2D50KGC
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM83682
PNG
(2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(2-morpholin-4...)
Show SMILES O=C(CSc1nc2ccccc2cc1C#N)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.75E+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