BDBM44368 (2S)-N-[(3S)-1-[2-[(3,4-dichlorophenyl)hydrazo]-2-oxoethyl]-2-oxo-3-azepanyl]-2-(methylamino)propanamide;formic acid::(2S)-N-[(3S)-1-[2-[2-(3,4-dichlorophenyl)hydrazinyl]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-2-(methylamino)propanamide;methanoic acid::(2S)-N-[(3S)-1-[2-[2-(3,4-dichlorophenyl)hydrazinyl]-2-oxoethyl]-2-oxoazepan-3-yl]-2-(methylamino)propanamide;formic acid::(2S)-N-[(3S)-1-[2-[N'-(3,4-dichlorophenyl)hydrazino]-2-keto-ethyl]-2-keto-azepan-3-yl]-2-(methylamino)propionamide;formic acid::MLS-0412071.0001::cid_44182189

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccc(Cl)c(Cl)c2)C1=O

InChI Key InChIKey=QZLHRUWKJVXDOP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 44368   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44368BDBM44368((2S)-N-[(3S)-1-[2-[2-(3,4-dichlorophenyl)hydraziny...)
Affinity DataIC50: 6.23E+4nMAssay 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