BDBM152737 17-(3-trifluoromethylphenylamino)-17-demethoxygeldanamycin (2y)

SMILES CO[C@H]1C[C@H](C)CC2=C(NCCc3cccc(c3)C(F)(F)F)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI Key InChIKey=NXZHIJIUBWGPCV-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 = 152737   

TargetPutative heat shock protein HSP 90-alpha A4(Human)
Shandong University

LigandPNGBDBM152737(17-(3-trifluoromethylphenylamino)-17-demethoxygeld...)
Affinity DataIC50: 2.29E+3nMpH: 7.3Assay Description:Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2015
Entry Details Article
PubMed