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BDBM329796 (rac)-{(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-::US10202389, Compound I-004::US9663525, Compound I-004::US9796725, Compound I-004

SMILES: Cc1cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n2nc(cc2n1)-c1ccccc1

InChI Key: InChIKey=LFVBSFKFKWBKIB-LRHNDGHRSA-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 = 329796   
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))
BDBM329796
PNG
((rac)-{(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-...)
Show SMILES Cc1cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C19H23N5O5S/c1-11-7-16(22-15-8-13(18(25)19(15)26)10-29-30(20,27)28)24-17(21-11)9-14(23-24)12-5-3-2-4-6-12/h2-7,9,13,15,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t13-,15-,18-,19+/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 US9663525 (2017)

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


(Homo sapiens (Human))
BDBM329796
PNG
((rac)-{(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-...)
Show SMILES Cc1cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C19H23N5O5S/c1-11-7-16(22-15-8-13(18(25)19(15)26)10-29-30(20,27)28)24-17(21-11)9-14(23-24)12-5-3-2-4-6-12/h2-7,9,13,15,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t13-,15-,18-,19+/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))
BDBM329796
PNG
((rac)-{(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-...)
Show SMILES Cc1cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C19H23N5O5S/c1-11-7-16(22-15-8-13(18(25)19(15)26)10-29-30(20,27)28)24-17(21-11)9-14(23-24)12-5-3-2-4-6-12/h2-7,9,13,15,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t13-,15-,18-,19+/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