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BDBM90719 4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-naphthalen-1-yl ester::4-bromobenzoic acid (2-acetonyl-4-hydroxy-1-naphthyl) ester::4-bromobenzoic acid [4-hydroxy-2-(2-oxopropyl)-1-naphthalenyl] ester::MLS000777412::SMR000413802::[4-hydroxy-2-(2-oxopropyl)naphthalen-1-yl] 4-bromobenzoate::[4-oxidanyl-2-(2-oxidanylidenepropyl)naphthalen-1-yl] 4-bromanylbenzoate::cid_2265776

SMILES: CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=JJGOINSUTXOPDH-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 90719   
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
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM90719
PNG
(4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-na...)
Show SMILES CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrO4/c1-12(22)10-14-11-18(23)16-4-2-3-5-17(16)19(14)25-20(24)13-6-8-15(21)9-7-13/h2-9,11,23H,10H2,1H3
KEGG

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n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Perilipin-5


(Homo sapiens (Human))
BDBM90719
PNG
(4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-na...)
Show SMILES CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrO4/c1-12(22)10-14-11-18(23)16-4-2-3-5-17(16)19(14)25-20(24)13-6-8-15(21)9-7-13/h2-9,11,23H,10H2,1H3
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n/an/a 2.52E+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))
BDBM90719
PNG
(4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-na...)
Show SMILES CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrO4/c1-12(22)10-14-11-18(23)16-4-2-3-5-17(16)19(14)25-20(24)13-6-8-15(21)9-7-13/h2-9,11,23H,10H2,1H3
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n/an/a 1.60E+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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM90719
PNG
(4-Bromo-benzoic acid 4-hydroxy-2-(2-oxo-propyl)-na...)
Show SMILES CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrO4/c1-12(22)10-14-11-18(23)16-4-2-3-5-17(16)19(14)25-20(24)13-6-8-15(21)9-7-13/h2-9,11,23H,10H2,1H3
PDB
MMDB

NCI pathway
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KEGG

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B.MOAD
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n/an/a>3.98E+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