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BDBM43463 (Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide::(Z)-2,3-dichloro-3-[(4-methoxyphenyl)methylsulfinyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide::(Z)-2,3-dichloro-3-[(4-methoxyphenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide::(Z)-2,3-dichloro-N-(6-methoxy-3-pyridyl)-3-p-anisylsulfinyl-acrylamide::2,3-dichloro-3-[(4-methoxybenzyl)sulfinyl]-N-(6-methoxy-3-pyridinyl)acrylamide::MLS000706841::SMR000334341::cid_1472222

SMILES: COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1

InChI Key: InChIKey=SFXGKNBNDTZBEW-UHFFFAOYSA-N

Data: 4 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 7 hits for monomerid = 43463   
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))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 560n/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))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
PDB
MMDB

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n/an/an/an/a 3.41E+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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
PDB
MMDB

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n/an/an/an/a 540n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/a 2.92E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/a 5.22E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/a 8.42E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/a 8.26E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair