BDBM80417 MLS000582383::N-(1-{5-[(3,4-dichlorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide::N-[1-[5-[(3,4-dichlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide::N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide::N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide::N-[1-[5-[(3,4-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide::SMR000200924::cid_2968527

SMILES COc1ccc(cc1)C(=O)NC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C

InChI Key InChIKey=MAHUJHZPLYQCCM-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80417   

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

Curated by PubChem BioAssay
LigandPNGBDBM80417(N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-met...)
Affinity DataIC50: 3.87E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80417(N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-met...)
Affinity DataIC50: 5.45E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay