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BDBM166438 US9073833, 6

SMILES: CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1

InChI Key: InChIKey=PSORSGLVGFXCQD-STZFKDTASA-N

Data: 5 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 5 hits for monomerid = 166438   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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US Patent
n/an/a 180n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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US Patent
n/an/a 3.67E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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Article
PubMed
n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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n/an/a 237n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair