BDBM50276279 CHEMBL511439::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13,19-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl ester

SMILES CO[C@H]1C[C@H](C)Cc2cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)ccc2O

InChI Key InChIKey=FOTHSRVGKSQOSD-NPMNMWLJSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276279   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50276279(CHEMBL511439 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Affinity DataKd:  2.5nMAssay Description:Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed