BDBM79195 (2S,3S)-2-[4-(4-guanidinobutyl)triazol-1-yl]-N-[11-keto-11-[4-[4-morpholino-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]undecyl]-3-methyl-valeramide::(2S,3S)-2-[4-[4-(diaminomethylideneamino)butyl]-1-triazolyl]-3-methyl-N-[11-[4-[4-(4-morpholinyl)-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-11-oxoundecyl]pentanamide::(2S,3S)-2-[4-[4-(diaminomethylideneamino)butyl]triazol-1-yl]-3-methyl-N-[11-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-11-oxoundecyl]pentanamide::(2S,3S)-2-[4-[4-[bis(azanyl)methylideneamino]butyl]-1,2,3-triazol-1-yl]-3-methyl-N-[11-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-11-oxidanylidene-undecyl]pentanamide::MLS002153760::RI-Cap::SMR001231186::cid_24982162

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

InChI Key InChIKey=XPZGXVZLJFPUCX-VQIIKMDRSA-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 = 79195   

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

Curated by PubChem BioAssay
LigandPNGBDBM79195((2S,3S)-2-[4-(4-guanidinobutyl)triazol-1-yl]-N-[11...)
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