BDBM79284 (4S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester::(4S)-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829962::SMR000672053::cid_24871364::methyl (4S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate::methyl (4S)-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

SMILES COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2c[nH]c3ccccc23)=N[C@H]1c1cccc(C(F)(F)F)c1

InChI Key InChIKey=IOMIDDAFFJWMCK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 79284   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79284BDBM79284(MLS000829962 | methyl (4S)-2-[2-(1H-indol-3-yl)eth...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79284BDBM79284(MLS000829962 | methyl (4S)-2-[2-(1H-indol-3-yl)eth...)
Affinity DataIC50: 7.10E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79284BDBM79284(MLS000829962 | methyl (4S)-2-[2-(1H-indol-3-yl)eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay