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BDBM89395 2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]-N-(tetrahydrofurfuryl)acetamide::2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide::2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)ethanamide::2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-oxolanylmethyl)acetamide::MLS001030641::SMR000635237::cid_4175693

SMILES: CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC2CCCO2)c(C)o1

InChI Key: InChIKey=UFHHXODVLHXSSL-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 89395   
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
Protein Wnt-3a


(Mus musculus)
BDBM89395
PNG
(2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]-...)
Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC2CCCO2)c(C)o1
Show InChI InChI=1S/C20H26N2O4S/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)26-20)12-27-13-19(23)21-11-17-5-4-10-25-17/h6-9,17H,3-5,10-13H2,1-2H3,(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89395
PNG
(2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]-...)
Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC2CCCO2)c(C)o1
Show InChI InChI=1S/C20H26N2O4S/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)26-20)12-27-13-19(23)21-11-17-5-4-10-25-17/h6-9,17H,3-5,10-13H2,1-2H3,(H,21,23)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+3n/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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair