BDBM462958 US10780090, Compound I-263a::US10780090, Compound I-263b::[(1R,2S,4R)-4-{[5-({4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate

SMILES Cc1sc(cc1[C@@H]1NCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1

InChI Key InChIKey=LXRZVMYMQHNYJB-UNXOBOICSA-N

Data  9 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 9 hits for monomerid = 462958   

TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
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(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  55nMAssay 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(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
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 ArticlePubMed
TargetNEDD8-activating enzyme E1 catalytic subunit(Homo sapiens)
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  960nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  20nMAssay Description:Inhibition of recombinant human CA2 expressed in Escherichia coli using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  32nMAssay 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 ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  46nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  90nMAssay Description:Inhibition of human erythrocyte CA1 using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
Millennium Pharmaceuticals, A Wholly Owned Subsidiary Of Takeda Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM462958(US10780090, Compound I-263a | US10780090, Compound...)
Affinity DataIC50:  15nMAssay 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 ArticlePubMed