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SMILES: ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI Key: InChIKey=SYAAEFMNVNGONW-UHFFFAOYSA-N

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 4 hits for monomerid = 50100089   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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PubMed
n/an/a 100n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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PubMed
n/an/a 4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
PDB
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Reactome pathway
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PC sid
UniChem

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PubMed
n/an/a 5n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair