BDBM462648 US10780090, Compound I-15::US10780090, Compound I-15a::US10780090, Compound I-15b::[(1R,2S,4R)-4-{[5-({4-[(R)-amino(3-chlorophenyl)methyl]-5-chloro-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate

SMILES N[C@H](c1cc(sc1Cl)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Cl)c1

InChI Key InChIKey=XNPUBXPMRDMMNN-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 462648   

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462648([(1R,2S,4R)-4-{[5-({4-[(R)-amino(3-chlorophenyl)me...)
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 Depth
Date in BDB:
5/2/2021
Entry Details
Go to US Patent

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462648([(1R,2S,4R)-4-{[5-({4-[(R)-amino(3-chlorophenyl)me...)
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 Depth
Date in BDB:
5/2/2021
Entry Details
Go to US Patent

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462648([(1R,2S,4R)-4-{[5-({4-[(R)-amino(3-chlorophenyl)me...)
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 Depth
Date in BDB:
5/2/2021
Entry Details
Go to US Patent