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
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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   

TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44694(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
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 DepthDetails PCBioAssay
TargetPhosphomannomutase 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
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 DepthDetails PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum 3D7)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44694(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
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 DepthDetails PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
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 DepthDetails PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44694(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
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 DepthDetails PCBioAssay