BDBM79397 (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]imidazolidin-1-yl]-3-methyl-butyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine::(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-1-imidazolidinyl]-3-methylbutyl]-2-pyrrolidinyl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine::(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]-3-methylbutyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine::MLS002477291::SMR001399214::[(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]-3-methyl-butyl]pyrrolidin-2-yl]methyl]-5-isopropyl-2-imidazolin-2-yl]amine::cid_44246590

SMILES CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1

InChI Key InChIKey=HLJVKFVYBQDSAX-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 79397   

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

Curated by PubChem BioAssay
LigandPNGBDBM79397((5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-...)
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
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79397((5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-...)
Affinity DataEC50: >9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay