BDBM54822 3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-4-methyl-benzamide::3-bromo-N-[(1S)-2-[(3S,6S)-3-isopropyl-6-p-anisyl-2,3,5,6-tetrahydroimidaz[1,2-a]imidazol-7-yl]-1-methyl-ethyl]-4-methyl-benzamide::3-bromo-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-4-methylbenzamide::MLS000697876::SMR000386368::cid_16195655

SMILES COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1

InChI Key InChIKey=QZIWSBDAUOASFY-KIVTUJJHSA-N

Data  4 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 4 hits for monomerid = 54822   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54822(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
Affinity DataIC50:  2.07E+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 DepthDetails PCBioAssay
TargetRNA-editing ligase 1, mitochondrial(Trypanosoma brucei brucei)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54822(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
Affinity DataIC50: >9.66E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54822(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
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 DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54822(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
Affinity DataIC50:  6.35E+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 DepthDetails PCBioAssay