BDBM80574 (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-[2-(2-pyridyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester::(4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[2-(2-pyridinyl)ethylamino]-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829975::SMR000672056::cid_24789258::methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-(2-pyridin-2-ylethylamino)-4H-pyrimidine-5-carboxylate::methyl (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-(2-pyridin-2-ylethylamino)-4H-pyrimidine-5-carboxylate

SMILES COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2ccccn2)=N[C@H]1c1cccc(F)c1

InChI Key InChIKey=OTIGNIYTQKIYDO-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 80574   

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

Curated by PubChem BioAssay
LigandPNGBDBM80574(methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2...)
Affinity DataIC50: 2.67E+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
LigandPNGBDBM80574(methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2...)
Affinity DataIC50: 4.79E+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