BDBM44694 1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthio)ethanone::1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone::MLS000050246::SMR000077414::cid_2241608

SMILES CC(C)(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1

InChI Key InChIKey=DVMQPRYXQFNDLM-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 44694   

LigandPNGBDBM44694(MLS000050246 | 1-(4-tert-butylphenyl)-2-(1H-1,2,4-...)
Affinity DataEC50:  4.41E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(MLS000050246 | 1-(4-tert-butylphenyl)-2-(1H-1,2,4-...)
Affinity DataIC50: 6.08E+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:
6/4/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44694(MLS000050246 | 1-(4-tert-butylphenyl)-2-(1H-1,2,4-...)
Affinity DataIC50: 4.60E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(MLS000050246 | 1-(4-tert-butylphenyl)-2-(1H-1,2,4-...)
Affinity DataIC50: 5.00E+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:
5/28/2011
Entry Details
PCBioAssay
TargetPhosphomannomutase 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(MLS000050246 | 1-(4-tert-butylphenyl)-2-(1H-1,2,4-...)
Affinity DataIC50: 1.00E+5nMAssay 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