BDBM80096 MLS000033673::N,N-Diethyl-2-(3-thiophen-2-yl-isothiazolo[4,5-d]pyrimidin-7-ylsulfanyl)-acetamide::N,N-diethyl-2-[(3-thiophen-2-yl-7-isothiazolo[4,5-d]pyrimidinyl)thio]acetamide::N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide::N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanamide::N,N-diethyl-2-[[3-(2-thienyl)isothiazolo[4,5-d]pyrimidin-7-yl]thio]acetamide::SMR000005541::cid_653996

SMILES CCN(CC)C(=O)CSc1ncnc2c(nsc12)-c1cccs1

InChI Key InChIKey=CJWPVUGGJZFAAF-UHFFFAOYSA-N

Data  4 IC50

  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 = 80096   

LigandPNGBDBM80096(cid_653996 | N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]...)
Affinity DataIC50: 3.16E+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:
1/4/2012
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80096(cid_653996 | N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]...)
Affinity DataIC50: 1.78E+4nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetProbable nicotinate-nucleotide adenylyltransferase(Staphylococcus aureus subsp. aureus N315)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80096(cid_653996 | N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]...)
Affinity DataIC50: 3.76E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80096(cid_653996 | N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]...)
Affinity DataIC50: 6.12E+4nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay