BDBM50150182 CHEMBL127821::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-{4-[4-(4-nitro-phenyl)-piperazin-1-ylmethyl]-benzoylamino}-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=CC=C(C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)c(c2O)C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O

InChI Key InChIKey=MZVWEZUMTIMUQK-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50150182   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50150182BDBM50150182(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 200nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50150182BDBM50150182(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 1.00E+3nMAssay 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
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Conforma Therapeutics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50150182BDBM50150182(Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-...)
Affinity DataIC50: 1.30E+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