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.

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 = 31996   

TargetEndoplasmin(Canis familiaris)
Infinity Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
Show 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
Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-12,16-18,20,25-26,28,30,37-39H,13-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9?,19-10?,21-16+,34-12?/t18-,20+,25+,26+,28-,30+/m1/s1
Affinity DataEC50:  65nMAssay Description:Inhibition of BODIPY-AG binding to dog Grp94More data for this Ligand-Target Pair

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