BDBM50030868 (8S,9S,12S,13R,14S,16R)-19-amino-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::17-amino-17-demethoxygeldanamycin::17-desmethoxy-17-aminogeldanamycin::CHEMBL339231::Carbamic acid (4E,6Z)-(13S,14S,17R,19S)-19-amino-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-amino-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]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O

InChI Key InChIKey=VWTYNHIROMEOBP-DETMWALVSA-N

Data  2 KI  2 IC50  2 Kd  5 EC50

  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 11 hits for monomerid = 50030868   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataKi:  3nMAssay Description:Binding affinity to HSP90 under reducing conditions in presence of TECPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataKi:  21nMAssay Description:Binding affinity to HSP90 under non-reducing conditions in absence of TECPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataEC50:  53nMAssay Description:Degradation of Her2 in SKOV3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataEC50:  8nMAssay Description:Degradation of Her2 in SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Canis familiaris)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataEC50:  48nMAssay Description:Inhibition of BODIPY-AG binding to dog Grp94More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataKd:  100nMAssay Description:Binding affinity to human recombinant HSP90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataIC50:  12nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataEC50:  17nMAssay Description:Upregulation of Hsp70 in SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataKd:  100nMAssay Description:Binding affinity for human heat shock protein 90 in scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030868((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...)
Affinity DataEC50:  6nMAssay Description:Upregulation of Hsp70 in SKOV3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed