BDBM462770 US10780090, Compound I-102::US10780090, Compound I-102a::US10780090, Compound I-102b::[(1R,2S,4R)-4-{[5-({5-chloro-4-[(1R)-1-(3-chlorophenyl)-1-hydroxyethyl]-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate

SMILES C[C@](O)(c1cc(sc1Cl)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1

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

Found 3 hits for monomerid = 462770   

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462770(US10780090, Compound I-102a | 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 Depth
Date in BDB:
5/2/2021
Entry Details
US Patent

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462770(US10780090, Compound I-102a | 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 Depth
Date in BDB:
5/2/2021
Entry Details
US Patent

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462770(US10780090, Compound I-102a | US10780090, Compound...)
Affinity DataIC50: 550nMAssay 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
US Patent