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BDBM43383 (Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenzimidazol-1-yl)prop-2-en-1-one::(Z)-3-(3,4-dimethoxyphenyl)-1-[2-(ethylthio)-1-benzimidazolyl]-2-propen-1-one::(Z)-3-(3,4-dimethoxyphenyl)-1-[2-(ethylthio)benzimidazol-1-yl]prop-2-en-1-one::1-[3-(3,4-dimethoxyphenyl)acryloyl]-2-(ethylsulfanyl)-1H-benzimidazole::MLS000544695::SMR000162993::cid_7285210

SMILES: CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1

InChI Key: InChIKey=NJKXCECKMAPPHS-BENRWUELSA-N

Data: 5 IC50  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 8 hits for monomerid = 43383   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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MMDB

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n/an/an/an/a 240n/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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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MMDB

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n/an/an/an/a 1.63E+6n/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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/an/an/a 410n/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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/a 3.76E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/a 1.04E+4n/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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/a 1.18E+4n/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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/a 4.73E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
KEGG

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n/an/a 3.76E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair