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BDBM329822 (rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluoromethyl)phenyl)pyrazolo[1,5-::US10202389, Compound I-030::US9663525, Compound I-030::US9796725, Compound I-030

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2Cl)C(F)(F)F)[C@H](O)[C@@H]1O

InChI Key: InChIKey=DNEDBJFKQVVIEX-ZULDRFPXSA-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 = 329822   
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))
BDBM329822
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluorom...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2Cl)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClF3N5O5S/c20-12-2-1-10(19(21,22)23)6-11(12)13-7-16-25-4-3-15(28(16)27-13)26-14-5-9(17(29)18(14)30)8-33-34(24,31)32/h1-4,6-7,9,14,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,14-,17-,18+/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
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM329822
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluorom...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2Cl)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClF3N5O5S/c20-12-2-1-10(19(21,22)23)6-11(12)13-7-16-25-4-3-15(28(16)27-13)26-14-5-9(17(29)18(14)30)8-33-34(24,31)32/h1-4,6-7,9,14,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,14-,17-,18+/m1/s1
PDB

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
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))
BDBM329822
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluorom...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2Cl)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClF3N5O5S/c20-12-2-1-10(19(21,22)23)6-11(12)13-7-16-25-4-3-15(28(16)27-13)26-14-5-9(17(29)18(14)30)8-33-34(24,31)32/h1-4,6-7,9,14,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,14-,17-,18+/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