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BDBM63989 2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)acetamide::2-besyl-N-(3-chloro-2-methyl-phenyl)acetamide::MLS001184013::N-(3-chloranyl-2-methyl-phenyl)-2-(phenylsulfonyl)ethanamide::SMR000502896::cid_892315

SMILES: Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1

InChI Key: InChIKey=TVXDJTBGTZXIKI-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 63989   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM63989
PNG
(2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)ace...)
Show SMILES Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
n/an/a>3.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM63989
PNG
(2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)ace...)
Show SMILES Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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