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BDBM50089197 3-Benzenesulfinyl-heptanoic acid hydroxyamide::CHEMBL75433

SMILES: CCCCC(CC(=O)NO)S(=O)c1ccccc1

InChI Key: InChIKey=SQIUCETXNXHTSW-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50089197   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50089197
PNG
(3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...)
Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50089197
PNG
(3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...)
Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelin-converting enzyme 1


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50089197
PNG
(3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...)
Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
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n/an/a 100n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50089197
PNG
(3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...)
Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
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n/an/a 93n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50089197
PNG
(3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...)
Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
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n/an/a 2.60E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase enzyme (NEP).


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair