BDBM50030841 (8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate::CHEMBL421647::Carbamic acid (4E,6Z)-(13S,14S,17R,19S)-19-(2-fluoro-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::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-(2-fluoro-ethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester

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=CCF

InChI Key InChIKey=ADXSRWGVKLOWIB-BNADAXFPSA-N

Data  2 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50030841   

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

Curated by ChEMBL
LigandPNGBDBM50030841((8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-13...)
Affinity DataKd:  800nMAssay Description:Binding affinity to human recombinant HSP90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50030841((8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-13...)
Affinity DataKd:  800nMAssay Description:Binding affinity for human heat shock protein 90 in scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed