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BDBM329916 (s.e.)-{(1R,2R,3S,4R)-4-[(3,6-dichloro-2-{3-::US10202389, Compound I-124::US9663525, Compound I-124::US9796725, Compound I-124

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2c(Cl)cnc3c(Cl)c(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=MZWFHZDGVLGVPB-NRXFTUCASA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 329916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E2 ubiquitin-conjugating enzyme E1


(Homo sapiens (Human))
BDBM329916
PNG
((s.e.)-{(1R,2R,3S,4R)-4-[(3,6-dichloro-2-{3- | US1...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2c(Cl)cnc3c(Cl)c(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2F3N5O5S2/c20-11-6-26-18-13(21)14(8-2-1-3-10(4-8)35-19(22,23)24)28-29(18)17(11)27-12-5-9(15(30)16(12)31)7-34-36(25,32)33/h1-4,6,9,12,15-16,27,30-31H,5,7H2,(H2,25,32,33)/t9-,12-,15-,16+/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...


US Patent US9663525 (2017)

More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM329916
PNG
((s.e.)-{(1R,2R,3S,4R)-4-[(3,6-dichloro-2-{3- | US1...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2c(Cl)cnc3c(Cl)c(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2F3N5O5S2/c20-11-6-26-18-13(21)14(8-2-1-3-10(4-8)35-19(22,23)24)28-29(18)17(11)27-12-5-9(15(30)16(12)31)7-34-36(25,32)33/h1-4,6,9,12,15-16,27,30-31H,5,7H2,(H2,25,32,33)/t9-,12-,15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329916
PNG
((s.e.)-{(1R,2R,3S,4R)-4-[(3,6-dichloro-2-{3- | US1...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2c(Cl)cnc3c(Cl)c(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2F3N5O5S2/c20-11-6-26-18-13(21)14(8-2-1-3-10(4-8)35-19(22,23)24)28-29(18)17(11)27-12-5-9(15(30)16(12)31)7-34-36(25,32)33/h1-4,6,9,12,15-16,27,30-31H,5,7H2,(H2,25,32,33)/t9-,12-,15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...


US Patent US10202389 (2019)

More data for this
Ligand-Target Pair