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BDBM329814 (rac)-((1R,2R,3S,4R)-4-(2-(benzo[b]thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-::US10202389, Compound I-022::US9663525, Compound I-022

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccccc23)[C@H](O)[C@@H]1O

InChI Key: InChIKey=YMDRTXDCQNKMBG-SLQMQVKPSA-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 = 329814   
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))
BDBM329814
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(benzo[b]thiophen-3-yl)p...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-9-11-7-15(20(27)19(11)26)23-17-5-6-22-18-8-14(24-25(17)18)13-10-31-16-4-2-1-3-12(13)16/h1-6,8,10-11,15,19-20,23,26-27H,7,9H2,(H2,21,28,29)/t11-,15-,19-,20+/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))
BDBM329814
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(benzo[b]thiophen-3-yl)p...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-9-11-7-15(20(27)19(11)26)23-17-5-6-22-18-8-14(24-25(17)18)13-10-31-16-4-2-1-3-12(13)16/h1-6,8,10-11,15,19-20,23,26-27H,7,9H2,(H2,21,28,29)/t11-,15-,19-,20+/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