BDBM41591 (Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3-[(4-methylphenyl)methylsulfinyl]prop-2-enamide::(Z)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)methylsulfinyl]-2-propenamide::(Z)-2,3-dichloro-N-(6-methoxy-3-pyridyl)-3-(4-methylbenzyl)sulfinyl-acrylamide::(Z)-2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-[(4-methylphenyl)methylsulfinyl]prop-2-enamide::2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylbenzyl)sulfinyl]acrylamide::MLS000540304::SMR000125562::cid_1472225

SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1

InChI Key InChIKey=UKBGNIASULYWLD-UHFFFAOYSA-N

Data  6 IC50  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 41591   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 967nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 752nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50:  960nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
TargetWee1-like protein kinase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50: >4.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
TargetG2/mitotic-specific cyclin-B1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50: >4.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50:  840nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50:  1.73E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 4.71E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 3.76E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 4.24E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataIC50: 2.26E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay