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BDBM50072959 CHEMBL3410535

SMILES: [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1

InChI Key: InChIKey=SSAMIOWVUGBIJK-KAVGSWPWSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50072959   
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 carboxyl-terminal hydrolase isozyme L5


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged UCHL5 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins b...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubl carboxyl-terminal hydrolase 18


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.32E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of recombinant human USP18 (16 to 372 aa) expressed in Sf9 cells using ISG15-AMC as substrate preincubated for 30 mins before substrate ad...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of USP2 catalytic domain (unknown origin) expressed in bacteria using Ub-AMC as substrate preincubated for 30 mins before substrate additi...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair