BindingDB logo
myBDB logout

BDBM329815 (rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-2,3-dihydrobenzofuran-7-yl)pyrazolo[1,5-::US10202389, Compound I-023::US9663525, Compound I-023

SMILES: CC1(C)COc2c1cccc2-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1

InChI Key: InChIKey=NUWGQHGWOIICDS-KRVNLHHGSA-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 = 329815   
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))
BDBM329815
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-2,3-dihydr...)
Show SMILES CC1(C)COc2c1cccc2-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1
Show InChI InChI=1S/C22H27N5O6S/c1-22(2)11-32-21-13(4-3-5-14(21)22)15-9-18-24-7-6-17(27(18)26-15)25-16-8-12(19(28)20(16)29)10-33-34(23,30)31/h3-7,9,12,16,19-20,25,28-29H,8,10-11H2,1-2H3,(H2,23,30,31)/t12-,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 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
E2 ubiquitin-conjugating enzyme E1


(Homo sapiens (Human))
BDBM329815
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-2,3-dihydr...)
Show SMILES CC1(C)COc2c1cccc2-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1
Show InChI InChI=1S/C22H27N5O6S/c1-22(2)11-32-21-13(4-3-5-14(21)22)15-9-18-24-7-6-17(27(18)26-15)25-16-8-12(19(28)20(16)29)10-33-34(23,30)31/h3-7,9,12,16,19-20,25,28-29H,8,10-11H2,1-2H3,(H2,23,30,31)/t12-,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 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