BDBM68139 MLS000621996::N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-4-thiazolyl]acetamide::N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]acetamide::N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanamide::N-[3-[4-(2-fluorophenyl)piperazino]propyl]-2-[2-[(2-thioxo-1H-quinazolin-4-yl)amino]thiazol-4-yl]acetamide::N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-{2-[(2-thioxo-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide::SMR000310923::cid_16195306

SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1

InChI Key InChIKey=LIDOOAJDRNFUAK-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 68139   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68139(SMR000310923 | cid_16195306 | N-[3-[4-(2-fluorophe...)
Affinity DataIC50: 260nMAssay 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
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68139(SMR000310923 | cid_16195306 | N-[3-[4-(2-fluorophe...)
Affinity DataIC50: 260nMAssay 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
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68139(SMR000310923 | cid_16195306 | N-[3-[4-(2-fluorophe...)
Affinity DataIC50: 6.03E+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
TargetZinc finger protein GLI1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68139(SMR000310923 | cid_16195306 | N-[3-[4-(2-fluorophe...)
Affinity DataIC50: 2.00E+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:
6/19/2012
Entry Details
PCBioAssay
TargetProtein Wnt-3a(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68139(SMR000310923 | cid_16195306 | N-[3-[4-(2-fluorophe...)
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay