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BDBM329904 (s.e.)-((1R,2R,3S,4R)-4-(2-(4-(difluoromethoxy)naphthalen-1-yl)pyrazolo[1,5-::US10202389, Compound I-112::US9663525, Compound I-112::US9796725, Compound I-112

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(OC(F)F)c3ccccc23)[C@H](O)[C@@H]1O

InChI Key: InChIKey=LBNXNYOQGXLRTC-FFHTXLEWSA-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 = 329904   
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))
BDBM329904
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-(difluoromethoxy)nap...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(OC(F)F)c3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H23F2N5O6S/c24-23(25)36-18-6-5-14(13-3-1-2-4-15(13)18)16-10-20-27-8-7-19(30(20)29-16)28-17-9-12(21(31)22(17)32)11-35-37(26,33)34/h1-8,10,12,17,21-23,28,31-32H,9,11H2,(H2,26,33,34)/t12-,17-,21-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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))
BDBM329904
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-(difluoromethoxy)nap...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(OC(F)F)c3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H23F2N5O6S/c24-23(25)36-18-6-5-14(13-3-1-2-4-15(13)18)16-10-20-27-8-7-19(30(20)29-16)28-17-9-12(21(31)22(17)32)11-35-37(26,33)34/h1-8,10,12,17,21-23,28,31-32H,9,11H2,(H2,26,33,34)/t12-,17-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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))
BDBM329904
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-(difluoromethoxy)nap...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(OC(F)F)c3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H23F2N5O6S/c24-23(25)36-18-6-5-14(13-3-1-2-4-15(13)18)16-10-20-27-8-7-19(30(20)29-16)28-17-9-12(21(31)22(17)32)11-35-37(26,33)34/h1-8,10,12,17,21-23,28,31-32H,9,11H2,(H2,26,33,34)/t12-,17-,21-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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