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BDBM329913 (rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(6-phenylpyrazin-2-yl)pyrazolo[1,5-::US10202389, Compound I-121::US9663525, Compound I-121

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc(n2)-c2ccccc2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=HNWPYKPOZIIQBY-SLBVSICGSA-N

Data: 2 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 2 hits for monomerid = 329913   
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
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329913
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(6-phenyl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc(n2)-c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N7O5S/c23-35(32,33)34-12-14-8-16(22(31)21(14)30)27-19-6-7-25-20-9-15(28-29(19)20)18-11-24-10-17(26-18)13-4-2-1-3-5-13/h1-7,9-11,14,16,21-22,27,30-31H,8,12H2,(H2,23,32,33)/t14-,16-,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
E2 ubiquitin-conjugating enzyme E1


(Homo sapiens (Human))
BDBM329913
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(6-phenyl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc(n2)-c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N7O5S/c23-35(32,33)34-12-14-8-16(22(31)21(14)30)27-19-6-7-25-20-9-15(28-29(19)20)18-11-24-10-17(26-18)13-4-2-1-3-5-13/h1-7,9-11,14,16,21-22,27,30-31H,8,12H2,(H2,23,32,33)/t14-,16-,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