BDBM31996 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin::17-DMAG::CHEMBL383824

SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C

InChI Key InChIKey=FVAMRTJEYDVCCB-GRTSSIDSSA-N

Data  1 EC50  4 ITC

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31996   

TargetEndoplasmin(Canis familiaris)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
Affinity DataEC50:  65nMAssay Description:Inhibition of BODIPY-AG binding to dog Grp94More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 31996   

CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
ITC DataΔG°: -7.62kcal/mole −TΔS°: -2.77kcal/mole ΔH°: -4.87kcal/mole logk: 6.30E+5
pH: 8.0 T: 15.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
ITC DataΔG°: -7.57kcal/mole −TΔS°: -1.93kcal/mole ΔH°: -5.64kcal/mole logk: 4.50E+5
pH: 8.0 T: 20.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
ITC DataΔG°: -7.69kcal/mole −TΔS°: -1.82kcal/mole ΔH°: -5.88kcal/mole logk: 4.40E+5
pH: 8.0 T: 25.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
ITC DataΔG°: -7.71kcal/mole −TΔS°: -1.03kcal/mole ΔH°: -6.71kcal/mole logk: 4.00E+5
pH: 8.0 T: 30.00°C