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BDBM329847 (rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl)pyrazolo[1,5-a]pyrimidin-7-::US10202389, Compound I-055::US9663525, Compound I-055::US9796725, Compound I-055

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O

InChI Key: InChIKey=XQOZGJCXZFPUMR-PKXHBNNFSA-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 = 329847   
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))
BDBM329847
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21ClN6O5S/c21-11-1-2-12-13(8-24-14(12)6-11)15-7-18-23-4-3-17(27(18)26-15)25-16-5-10(19(28)20(16)29)9-32-33(22,30)31/h1-4,6-8,10,16,19-20,24-25,28-29H,5,9H2,(H2,22,30,31)/t10-,16-,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
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM329847
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21ClN6O5S/c21-11-1-2-12-13(8-24-14(12)6-11)15-7-18-23-4-3-17(27(18)26-15)25-16-5-10(19(28)20(16)29)9-32-33(22,30)31/h1-4,6-8,10,16,19-20,24-25,28-29H,5,9H2,(H2,22,30,31)/t10-,16-,19-,20+/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))
BDBM329847
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21ClN6O5S/c21-11-1-2-12-13(8-24-14(12)6-11)15-7-18-23-4-3-17(27(18)26-15)25-16-5-10(19(28)20(16)29)9-32-33(22,30)31/h1-4,6-8,10,16,19-20,24-25,28-29H,5,9H2,(H2,22,30,31)/t10-,16-,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