BDBM50087812 CHEMBL3426787

SMILES COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O

InChI Key InChIKey=NCWIQXPFJORNJP-UHFFFAOYSA-N

Data  2 KI  8 IC50  5 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50087812   

TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.20E+3nMAssay Description:Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.40E+4nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.15E+3nMAssay Description:Displacement of FITC-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 32nMAssay Description:Inhibition of GRP94 (unknown origin) expressed in HEK293 cells assessed as reduction of Toll-like receptor trafficking to cell membrane treated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2016
Entry Details Article
PubMed
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKd:  1.14E+3nMAssay Description:Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2017
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKd:  1.31E+4nMAssay Description:Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.32E+4nMAssay Description:Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.10E+3nMAssay Description:Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKd:  620nMAssay Description:Binding affinity to human N-terminal 6His-tagged HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21star/Rosetta2 (DE3) at 298 K by ITC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.14E+3nMAssay Description:Binding affinity to GRP94 N-domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataIC50: 1.31E+4nMAssay Description:Inhibition of human recombinant HSP90alpha expressed in Escherichia coli by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKd:  1.38E+3nMAssay Description:Inhibition of FITC-geldanamycin binding to canine GRP94 incubated for 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKd:  620nMAssay Description:Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) incubated for 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKi:  440nMAssay Description:Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50087812(CHEMBL3426787)
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)