BDBM50150168 CHEMBL126784::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-phenyl-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester

SMILES CO[C@H]1CC(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)c2-c1ccccc1

InChI Key InChIKey=FRNGNHJAGGYAIQ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50150168   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150168(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 70nMAssay Description:Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150168(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 280nMAssay Description:Inhibition of human epidermal growth factor 2 (Her-2) degradation in MCF-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150168(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 3.00E+3nMAssay Description:Concentration required to inhibit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150168(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 1.60E+4nMAssay Description:Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed