BDBM205485 Cytotoxic conjugates, 2

SMILES COc1cccc2n(C(=O)C3CCC(Cl)CC3)c(C)c(CC(=O)NCCOCCOCCOCCOCCC(=O)O[C@H]([C@@H](NC(=O)c3ccccc3)c3ccccc3)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)OC(C)=O)c12

InChI Key InChIKey=MOVOFIAFGOOOEJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 205485   

TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM205485(Cytotoxic conjugates, 2)
Affinity DataIC50: 2.50E+4nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2016
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM205485(Cytotoxic conjugates, 2)
Affinity DataIC50: 2.50E+4nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2016
Entry Details Article
PubMed