BDBM40027 7-[4-[4-(4-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one::7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one::7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one::7-[4-[4-(4-chlorophenyl)piperazino]-4-keto-butyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one::7-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one::MLS000095368::SMR000030922::cid_3239972

SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O

InChI Key InChIKey=XYFQYUZQZYQLRI-UHFFFAOYSA-N

Data  3 IC50  1 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 4 hits for monomerid = 40027   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40027(7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanyl...)
Affinity DataIC50: 1.26E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40027(7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanyl...)
Affinity DataIC50: 6.50E+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
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40027(7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanyl...)
Affinity DataEC50:  7.73E+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:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40027(7-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxidanyl...)
Affinity DataIC50: 8.75E+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:
7/11/2011
Entry Details
PCBioAssay