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]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)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key InChIKey=MZVWEZUMTIMUQK-AFVVGKOPSA-N

Data  3 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 3 hits for monomerid = 50150182   

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

Curated by ChEMBL
LigandPNGBDBM50150182(CHEMBL127821 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150182(CHEMBL127821 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
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 DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Conforma Therapeutics

Curated by ChEMBL
LigandPNGBDBM50150182(CHEMBL127821 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Affinity DataIC50:  1.30E+3nMAssay Description:Concentration required to inhbit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed