BDBM50575555 CHEMBL4878088

SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@H](O)[C@@H]1O

InChI Key InChIKey=AGIKMOLYLSSZIM-ZESCBINXSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50575555   

TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  1nMAssay Description:Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNEDD8-activating enzyme E1 catalytic subunit(Homo sapiens)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  29nMAssay Description:Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  6nMAssay Description:Inhibition of SAE (unknown origin) using SUMO1 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  26nMAssay Description:Inhibition of SAE in human HCT116 cells assessed as reduction in redistribution of SUMO2/3 proteins from nucleus to cytosol incubated for 4 hrs by im...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNEDD8-activating enzyme E1 catalytic subunit(Homo sapiens)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  300nMAssay Description:Inhibition of NAE (unknown origin) using Nedd-8 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  6nMAssay Description:Inhibition of SAE in human HCT116 cells assessed as reduction in conjugation of SUMO proteins to UBC9 by Western blot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNEDD8-activating enzyme E1 catalytic subunit(Homo sapiens)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of NAE in human HCT116 cells assessed as reduction in conjugation of Nedd8 to UBC10 by Western blot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50575555(CHEMBL4878088)
Affinity DataIC50:  50nMAssay Description:Inhibition of SAE (unknown origin) using SUMO2 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB