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BDBM39309 1-[4-[3-(4-acetylphenoxy)-2-hydroxy-propoxy]phenyl]ethanone::1-[4-[3-(4-acetylphenoxy)-2-hydroxypropoxy]phenyl]ethanone::1-[4-[3-(4-ethanoylphenoxy)-2-oxidanyl-propoxy]phenyl]ethanone::MLS000112984::SMR000108891::cid_800918

SMILES: CC(=O)c1ccc(OCC(O)COc2ccc(cc2)C(C)=O)cc1

InChI Key: InChIKey=JLEZFEXCHDKALY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 39309   
Target
(Institution)
LigandTarget
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
Rho Kinase 2


(Homo sapiens (Human))
BDBM39309
PNG
(1-[4-[3-(4-acetylphenoxy)-2-hydroxy-propoxy]phenyl...)
Show SMILES CC(=O)c1ccc(OCC(O)COc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C19H20O5/c1-13(20)15-3-7-18(8-4-15)23-11-17(22)12-24-19-9-5-16(6-10-19)14(2)21/h3-10,17,22H,11-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


Citation and Details
More data for this
Ligand-Target Pair