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SMILES: Cc1cccc2cc3c(N)c(sc3nc12)C#N

InChI Key: InChIKey=MUWMCMNRTNFPQD-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 6 hits for monomerid = 62545   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 630n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 630n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.14E+3n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM62545
PNG
(3-amino-8-methyl-2-thieno[2,3-b]quinolinecarbonitr...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C#N
Show InChI InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.31E+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