BDBM36853 MLS000034488::N-tert-Butyl-2-[3-(2-chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfanyl]-acetamide::N-tert-butyl-2-[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide::N-tert-butyl-2-[[3-(2-chlorobenzyl)triazolo[4,5-d]pyrimidin-7-yl]thio]acetamide::N-tert-butyl-2-[[3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]thio]acetamide::N-tert-butyl-2-[[3-[(2-chlorophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanamide::SMR000000867::cid_650829

SMILES CC(C)(C)NC(=O)CSc1ncnc2n(Cc3ccccc3Cl)nnc12

InChI Key InChIKey=GQZLCWFCWFIVCT-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 36853   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  7.01E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  9.40E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  8.37E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  5.22E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  1.33E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36853(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Affinity DataEC50:  1.27E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay