BDBM50297511 CHEMBL558153::N-(17-amino-12-(4-aminobutyl)-6-(benzo[d][1,3]dioxol-5-ylmethyl)-9,15-bis(furan-2-ylmethyl)-3-(2-hydroxyethyl)-2,5,8,11,14,17-hexaoxo-3,6,9,12,15-pentaazaheptadecyl)-2-((1-(20-(2-amino-2-oxoethyl)-5,14-bis(4-aminobutyl)-1-(benzo[d][1,3]dioxol-5-yl)-11,17-bis(benzo[d][1,3]dioxol-5-ylmethyl)-8-isobutyl-4,7,10,13,16,19-hexaoxo-2,5,8,11,14,17,20-heptaazatetracosan-24-yl)-1H-1,2,3-triazol-4-yl)methylamino)-N-(furan-2-ylmethyl)acetamide

SMILES CC(C)CN(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCn1cc(CNCC(=O)N(CC(=O)N(CCO)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(N)=O)Cc2ccco2)Cc2ccco2)Cc2ccc3OCOc3c2)Cc2ccco2)nn1)CC(N)=O)Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)C(=O)CN(CCCCN)C(=O)CNCc1ccc2OCOc2c1

InChI Key InChIKey=ORZOMMWVWSESPZ-UHFFFAOYSA-N

Data  1 Kd

  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 = 50297511   

TargetCREB-binding protein(Human)
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50297511(N-(17-amino-12-(4-aminobutyl)-6-(benzo[d][1,3]diox...)
Affinity DataKd:  7.28E+4nMAssay Description:Binding affinity to histidine tagged KIX domain of CREB-binding protein by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed