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SMILES: COc1ccc(cc1)S(=O)(=O)N1CCOCC1C(=O)NO

InChI Key: InChIKey=SSVAOOCBANMUMS-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082557   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50082557
PNG
(4-(4-Methoxy-benzenesulfonyl)-morpholine-3-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCC1C(=O)NO
Show InChI InChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13).


J Med Chem 42: 4547-62 (1999)


BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082557
PNG
(4-(4-Methoxy-benzenesulfonyl)-morpholine-3-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCC1C(=O)NO
Show InChI InChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
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PubMed
n/an/a 5.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3.


J Med Chem 42: 4547-62 (1999)


BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082557
PNG
(4-(4-Methoxy-benzenesulfonyl)-morpholine-3-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCC1C(=O)NO
Show InChI InChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)


BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair