BindingDB logo
myBDB logout

BDBM329830 (rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(5-methyl-2-phenyl-1,3-thiazol-4-::US10202389, Compound I-038::US9663525, Compound I-038::US9796725, Compound I-038

SMILES: Cc1sc(nc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)-c1ccccc1

InChI Key: InChIKey=XZZUQMUSKYSDNV-XQJRBRMLSA-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 = 329830   
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))
BDBM329830
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(5-methyl...)
Show SMILES Cc1sc(nc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H24N6O5S2/c1-12-19(26-22(34-12)13-5-3-2-4-6-13)15-10-18-24-8-7-17(28(18)27-15)25-16-9-14(20(29)21(16)30)11-33-35(23,31)32/h2-8,10,14,16,20-21,25,29-30H,9,11H2,1H3,(H2,23,31,32)/t14-,16-,20-,21+/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))
BDBM329830
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(5-methyl...)
Show SMILES Cc1sc(nc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H24N6O5S2/c1-12-19(26-22(34-12)13-5-3-2-4-6-13)15-10-18-24-8-7-17(28(18)27-15)25-16-9-14(20(29)21(16)30)11-33-35(23,31)32/h2-8,10,14,16,20-21,25,29-30H,9,11H2,1H3,(H2,23,31,32)/t14-,16-,20-,21+/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))
BDBM329830
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(5-methyl...)
Show SMILES Cc1sc(nc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H24N6O5S2/c1-12-19(26-22(34-12)13-5-3-2-4-6-13)15-10-18-24-8-7-17(28(18)27-15)25-16-9-14(20(29)21(16)30)11-33-35(23,31)32/h2-8,10,14,16,20-21,25,29-30H,9,11H2,1H3,(H2,23,31,32)/t14-,16-,20-,21+/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