BDBM39626 2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione::2-(5-benzyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione::2-(5-benzyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone::2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione::MLS000100008::SMR000081666::cid_2975791

SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1

InChI Key InChIKey=SFODJKYRFULPDQ-UHFFFAOYSA-N

Data  9 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 10 hits for monomerid = 39626   

TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 539nMAssay 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:
5/17/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 922nMAssay 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:
5/17/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 330nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 169nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 172nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 126nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 3.25E+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:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataIC50: 2.04E+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:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39626(MLS000100008 | 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay