BDBM462705 US10780090, Compound I-43::{(1R,2S,4R)-4-[(5-{[4-(3-chlorobenzyl)-2-thienyl]carbonyl}pyrimidin-4-yl)amino]-2- hydroxycyclopentyl}methyl sulfamate

SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1

InChI Key InChIKey=PKHLGIWBWMPLAR-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 462705   

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
Affinity DataIC50: 10nMAssay Description:The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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

Curated by ChEMBL
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
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 DepthDetails Article
PubMed
TargetNEDD8-activating enzyme E1 catalytic subunit(Human)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
Affinity DataIC50: 64nMAssay Description:Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(Human)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
Affinity DataIC50: 68nMAssay 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 DepthDetails Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(Human)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
Affinity DataIC50: 142nMAssay Description:Inhibition of SAE in human HCT116 cells assessed as redistribution of SUMO2/3 proteins from nucleus to cytosol preincubated for 2 hrs followed by com...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSUMO-activating enzyme subunit 1/2(Human)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462705(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)
Affinity DataIC50: 2.06E+3nMAssay Description:Inhibition of SAE in human HCT116 cells assessed as redistribution of SUMO2/3 proteins from nucleus to cytosol preincubated for 2 hrs followed by com...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed