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SMILES: CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N

InChI Key: InChIKey=OGNUBOJENHRFOZ-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 = 49179   
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
Transcription factor p65


(Homo sapiens (Human))
BDBM49179
PNG
((3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic a...)
Show SMILES CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-14(18)9-21-15-11(8-16)6-10-4-5-12(19-2)7-13(10)17-15/h4-7H,3,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 144n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM49179
PNG
((3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic a...)
Show SMILES CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-14(18)9-21-15-11(8-16)6-10-4-5-12(19-2)7-13(10)17-15/h4-7H,3,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM49179
PNG
((3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic a...)
Show SMILES CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-14(18)9-21-15-11(8-16)6-10-4-5-12(19-2)7-13(10)17-15/h4-7H,3,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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