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BDBM43387 (E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-hexen-3-one::(E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)hex-1-en-3-one::(E)-5-methyl-1-(2-thioxo-1,3-benzoxazol-3-yl)hex-1-en-3-one::5-Methyl-1-(2-thioxo-benzooxazol-3-yl)-hex-1-en-3-one::MLS000557159::SMR000173965::cid_834844

SMILES: CC(C)CC(=O)C=Cn1c2ccccc2oc1=S

InChI Key: InChIKey=MFSKFEMERYYCSZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 43387   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43387
PNG
((E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-y...)
Show SMILES CC(C)CC(=O)C=Cn1c2ccccc2oc1=S |w:6.5|
Show InChI InChI=1S/C14H15NO2S/c1-10(2)9-11(16)7-8-15-12-5-3-4-6-13(12)17-14(15)18/h3-8,10H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.20E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43387
PNG
((E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-y...)
Show SMILES CC(C)CC(=O)C=Cn1c2ccccc2oc1=S |w:6.5|
Show InChI InChI=1S/C14H15NO2S/c1-10(2)9-11(16)7-8-15-12-5-3-4-6-13(12)17-14(15)18/h3-8,10H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.53E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43387
PNG
((E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-y...)
Show SMILES CC(C)CC(=O)C=Cn1c2ccccc2oc1=S |w:6.5|
Show InChI InChI=1S/C14H15NO2S/c1-10(2)9-11(16)7-8-15-12-5-3-4-6-13(12)17-14(15)18/h3-8,10H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.79E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair