BDBM77606 (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-imino-1-imidazolidinyl]pentyl]-2-pyrrolidinyl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine::MLS002471776::SMR001395191::[(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-(3-cyclopentylpropyl)-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-2-imidazolin-2-yl]amine::cid_44143147

SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N

InChI Key InChIKey=DDENXCKSMYUDOW-PNGGRJFUSA-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 = 77606   

TargetRecBCD enzyme subunit RecD(Escherichia coli str. K-12 substr. MG1655)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM77606((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Affinity DataIC50:  1.52E+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 DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM77606((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Affinity DataIC50:  1.09E+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
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM77606((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
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
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM77606((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Affinity DataIC50:  8.52E+3nMAssay 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