BDBM80390 2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone::2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone::2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone::2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone::2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone::MLS000528709::SMR000121184::cid_893042

SMILES CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1

InChI Key InChIKey=IANPMQZRAIYIMH-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 80390   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80390(2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-...)
Affinity DataIC50:  2.31E+3nMT: 2°CAssay 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
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM80390(2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-...)
Affinity DataEC50:  2.07E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80390(2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-...)
Affinity DataIC50:  2.75E+3nMT: 2°CAssay 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