BDBM50173903 CHEMBL197795::Methyl-carbamic acid (4E,6Z)-(13S,14S,17R,19S)-19-(2-dimethylamino-ethylamino)-13-(S)-hydroxy-8,14-dimethoxy-4,12,16-trimethyl-10-(R)-methyl-3,20,22-trioxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester

SMILES CNC(=O)O[C@@H]1[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C1/C)c2O

InChI Key InChIKey=ZLSXOZCXAITGJQ-BBHUZUJTSA-N

Data  1 Kd

  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 1 hit for monomerid = 50173903   

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

Curated by ChEMBL
LigandPNGBDBM50173903(CHEMBL197795 | Methyl-carbamic acid (4E,6Z)-(13S,1...)
Affinity DataKd: >1.00E+5nMAssay Description:Binding affinity for human heat shock protein 90 in scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed