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BDBM329899 (s.e.)-((1R,2R,3S,4R)-4-(2-(4-(dimethylamino)naphthalen-1-yl)pyrazolo[1,5-::US10202389, Compound I-107::US9663525, Compound I-107

SMILES: CN(C)c1ccc(-c2cc3nccc(N[C@@H]4C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]4O)n3n2)c2ccccc12

InChI Key: InChIKey=DWYLUBMPXHUNEX-FSICJWCISA-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 = 329899   
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))
BDBM329899
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-(dimethylamino)napht...)
Show SMILES CN(C)c1ccc(-c2cc3nccc(N[C@@H]4C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]4O)n3n2)c2ccccc12
Show InChI InChI=1S/C24H28N6O5S/c1-29(2)20-8-7-16(15-5-3-4-6-17(15)20)18-12-22-26-10-9-21(30(22)28-18)27-19-11-14(23(31)24(19)32)13-35-36(25,33)34/h3-10,12,14,19,23-24,27,31-32H,11,13H2,1-2H3,(H2,25,33,34)/t14-,19-,23-,24+/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))
BDBM329899
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-(dimethylamino)napht...)
Show SMILES CN(C)c1ccc(-c2cc3nccc(N[C@@H]4C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]4O)n3n2)c2ccccc12
Show InChI InChI=1S/C24H28N6O5S/c1-29(2)20-8-7-16(15-5-3-4-6-17(15)20)18-12-22-26-10-9-21(30(22)28-18)27-19-11-14(23(31)24(19)32)13-35-36(25,33)34/h3-10,12,14,19,23-24,27,31-32H,11,13H2,1-2H3,(H2,25,33,34)/t14-,19-,23-,24+/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