BDBM50233854 CHEMBL267159::Carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-10,12,16-trimethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl ester::carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-10,12,16-trimethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl ester

SMILES CO[C@H]1CC\C=C\C(=O)Nc2cc(O)cc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2

InChI Key InChIKey=PSWCTDDGKOXOPF-WPNUPFKDSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50233854   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50233854(CHEMBL267159 | Carbamic acid (4E,10E)-(8S,9S,12S,1...)
Affinity DataKd:  16nMAssay Description:Binding affinity to Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed