BDBM37012 (2E)-1-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone::(2E)-1-(5-chloro-2-mesyl-pyrimidin-4-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone::(2E)-1-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-2-(1,3,3-trimethyl-2-indolylidene)ethanone::(2E)-1-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone::MLS000055030::SMR000065840::cid_2320547

SMILES CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12

InChI Key InChIKey=SMUCIPZRAXPYHT-UHFFFAOYSA-N

Data  7 IC50  7 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 37012   

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

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  9.04E+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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  2.22E+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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  8.79E+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:
4/29/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 1.36E+4nMAssay 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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 1.55E+4nMAssay 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:
4/30/2011
Entry Details
PCBioAssay
TargetMatrix metalloproteinase-14 [1-36](Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  1.61E+4nMAssay 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:
5/30/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  4.37E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 1.17E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  6.26E+3nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataEC50:  1.81E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 9.69E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 1.17E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 5.92E+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
LigandPNGBDBM37012(cid_2320547 | (2E)-1-(5-chloranyl-2-methylsulfonyl...)
Affinity DataIC50: 6.17E+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