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BDBM329861 (rac)-((1R,2R,3S,4R)-4-(2-(3-benzylpenyl)pyrazolo[1,5-a]pyrimidin-7-ylamino)-2,3-::US10202389, Compound I-069::US9663525, Compound I-069::US9796725, Compound I-069

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=XBFRVNJVAJTVDV-PPZUDANNSA-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 = 329861   
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))
BDBM329861
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3-benzylpenyl)pyrazolo[...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C25H27N5O5S/c26-36(33,34)35-15-19-13-21(25(32)24(19)31)28-22-9-10-27-23-14-20(29-30(22)23)18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14,19,21,24-25,28,31-32H,11,13,15H2,(H2,26,33,34)/t19-,21-,24-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))
BDBM329861
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3-benzylpenyl)pyrazolo[...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C25H27N5O5S/c26-36(33,34)35-15-19-13-21(25(32)24(19)31)28-22-9-10-27-23-14-20(29-30(22)23)18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14,19,21,24-25,28,31-32H,11,13,15H2,(H2,26,33,34)/t19-,21-,24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))
BDBM329861
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3-benzylpenyl)pyrazolo[...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C25H27N5O5S/c26-36(33,34)35-15-19-13-21(25(32)24(19)31)28-22-9-10-27-23-14-20(29-30(22)23)18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14,19,21,24-25,28,31-32H,11,13,15H2,(H2,26,33,34)/t19-,21-,24-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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