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SMILES: Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F

InChI Key: InChIKey=VMCHDVQMSNWZBB-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 = 72283   
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)
BDBM72283
PNG
(2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylami...)
Show SMILES Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
Show InChI InChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+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: 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))
BDBM72283
PNG
(2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylami...)
Show SMILES Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
Show InChI InChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.88E+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/Q2SB4462
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM72283
PNG
(2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylami...)
Show SMILES Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
Show InChI InChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM72283
PNG
(2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylami...)
Show SMILES Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
Show InChI InChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.56E+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