BDBM78857 3-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-[1,2,4]triazolo[4,3-b]pyridazine::3-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine::3-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazino]-[1,2,4]triazolo[4,3-b]pyridazine::MLS000878640::SMR000095858::cid_5309784

SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1

InChI Key InChIKey=OFTKNTOJNCGCOK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78857   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 78857BDBM78857(MLS000878640 | SMR000095858 | 3-(4-fluorophenyl)-6...)
Affinity DataIC50: 5.52E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 78857BDBM78857(MLS000878640 | SMR000095858 | 3-(4-fluorophenyl)-6...)
Affinity DataIC50: 1.92E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 78857BDBM78857(MLS000878640 | SMR000095858 | 3-(4-fluorophenyl)-6...)
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 CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 78857BDBM78857(MLS000878640 | SMR000095858 | 3-(4-fluorophenyl)-6...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay