BindingDB logo
myBDB logout

null

SMILES: Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1

InChI Key: InChIKey=GRUNYWKNRJZXDZ-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 4 hits for monomerid = 72267   
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
Heat shock factor protein 1


(Mus musculus)
BDBM72267
PNG
(1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
Show InChI InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 8.45E+3n/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: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM72267
PNG
(1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
Show InChI InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 594n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM72267
PNG
(1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
Show InChI InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM72267
PNG
(1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
Show InChI InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair