BDBM50575555 CHEMBL4878088

SMILES c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N

InChI Key InChIKey=AGIKMOLYLSSZIM-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50575555   

TargetSUMO-activating enzyme subunit 1/2(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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNEDD8-activating enzyme E1 catalytic subunit(Human)
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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSUMO-activating enzyme subunit 1/2(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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNEDD8-activating enzyme E1 catalytic subunit(Human)
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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNEDD8-activating enzyme E1 catalytic subunit(Human)
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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)