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SMILES: COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC

InChI Key: InChIKey=OECFBMNWNGPPFC-RQNDZEIBSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084209   
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
Matrilysin


(Homo sapiens (Human))
BDBM50084209
PNG
((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-[(Z...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
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MMDB

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PubMed
n/an/a 612n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of matrilysin (Matrix metalloproteinase-7, MMP-7)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084209
PNG
((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-[(Z...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition activity of human recombinant stromelysin (Matrix metalloproteinase-3)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084209
PNG
((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-[(Z...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084209
PNG
((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-[(Z...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
PDB
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PC sid
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PubMed
n/an/a 109n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-1 (Matrix metalloproteinase-1, MMP-1)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair