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BDBM72784 4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthyl acetate::MLS001075987::SMR000473070::[2-chloranyl-4-[ethanoyl(phenylsulfonyl)amino]naphthalen-1-yl] ethanoate::[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate::acetic acid [4-[acetyl(benzenesulfonyl)amino]-2-chloro-1-naphthalenyl] ester::acetic acid [4-[acetyl(besyl)amino]-2-chloro-1-naphthyl] ester::cid_1381611

SMILES: CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12

InChI Key: InChIKey=CWCONWVXCVKDSF-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 72784   
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
Hsf1 protein


(Mus musculus)
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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UniChem
PCBioAssay
n/an/a 1.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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UniChem
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n/an/an/an/a 3.17E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair