BDBM50242443 CID44560107::[amino({[(5S)-5-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-5-(2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]acetamido}acetamido)pentyl]amino})methylidene]azanium::butyryl-lysine peptide

SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O

InChI Key InChIKey=ZDXLROPVSNZYLP-SJRGWJBDSA-O

Data  1 Kd

  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 = 50242443   

TargetNAD-dependent protein deacetylase HST2(Saccharomyces cerevisiae)
University Of Wisconsin-Madison

Curated by ChEMBL
LigandPNGBDBM50242443(CID44560107 | [amino({[(5S)-5-{[(2S)-1-[(2S)-2-{[(...)
Affinity DataKd:  3.30E+3nMAssay Description:Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed