BDBM79300 ILP-V-45::MLS000911361::SMR000814228::[(5S)-5-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-hexyl]azanium::[(5S)-5-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]azanium::[(5S)-5-[[[4-[[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]ammonium::[(5S)-6-tert-butoxy-5-[[4-[[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-keto-hexyl]ammonium::cid_42601389

SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI Key InChIKey=RFTHIFZJFSVMAT-IRXDYDNUSA-O

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 = 79300   

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

Curated by PubChem BioAssay
LigandPNGBDBM79300(ILP-V-45 | MLS000911361 | SMR000814228 | [(5S)-5-[...)
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