BDBM44367 MLS-0412060.0001::cid_44182171::formic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxo-1-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-3-azepanyl]propanamide::formic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxo-1-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]azepan-3-yl]propanamide::formic acid;(2S)-N-[(3S)-2-keto-1-[2-keto-2-(tetralin-1-ylamino)ethyl]azepan-3-yl]-2-(methylamino)propionamide::methanoic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxidanylidene-1-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]azepan-3-yl]propanamide

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NC2CCCc3ccccc23)C1=O

InChI Key InChIKey=NNNNMNLCCNVBBD-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 44367   

TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44367BDBM44367(formic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxo-1-[...)
Affinity DataIC50: 6.90E+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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay