BDBM50311409 CHEMBL1077375::N-((6R,9R,12R,15R,18R,21R,31R)-1-amino-31-(4-aminobutyl)-6-carbamoyl-9,12,15,18,21-pentakis(3-guanidinopropyl)-1-imino-8,11,14,17,20,23,30,33-octaoxo-2,7,10,13,16,19,22,29,32-nonaazaoctatriacontan-38-yl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide

SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O

InChI Key InChIKey=MAAJGIGLUACQAJ-DQVPDUJDSA-N

Data  3 IC50  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 = 50311409   

TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
University Of Tartu

Curated by ChEMBL
LigandPNGBDBM50311409(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)
Affinity DataIC50:  5.5nMAssay Description:Inhibition of PKACalpha in presence of 1000 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed