BDBM41593 (Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3-(phenylmethyl)sulfinyl-prop-2-enamide::(Z)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-(phenylmethyl)sulfinyl-2-propenamide::(Z)-3-benzylsulfinyl-2,3-dichloro-N-(6-methoxy-3-pyridyl)acrylamide::(Z)-3-benzylsulfinyl-2,3-dichloro-N-(6-methoxypyridin-3-yl)prop-2-enamide::3-(benzylsulfinyl)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)acrylamide::MLS000540302::SMR000125560::cid_1472216

SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1

InChI Key InChIKey=XNTUIWIKFGPDFS-UHFFFAOYSA-N

Data  8 IC50  3 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 11 hits for monomerid = 41593   

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

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 942nMAssay 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
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 1.28E+3nMAssay 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
TargetWee1-like protein kinase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
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
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataEC50: >1.84E+3nMAssay 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
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 7.62E+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
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 7.10E+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
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataEC50: >3.30E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 4.53E+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
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 3.93E+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
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 5.84E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41593(MLS000540302 | cid_1472216 | (Z)-2,3-dichloro-N-(6...)
Affinity DataIC50: 1.60E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay