BDBM79193 (2R,3R)-2-[4-(5-aminopentyl)-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::(2R,3R)-2-[4-(5-aminopentyl)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::(2R,3R)-2-[4-(5-aminopentyl)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::(2R,3R)-2-[4-(5-azanylpentyl)-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::KI-Cap::MLS002153755::SMR001231181::cid_24983081

SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CCCCCN)nn1

InChI Key InChIKey=XBIJQEWBNQMYOL-UHFFFAOYSA-N

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 = 79193   

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

Curated by PubChem BioAssay
LigandPNGBDBM79193(SMR001231181 | cid_24983081 | MLS002153755 | (2R,3...)
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