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SMILES: OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=RTBPRRSADWSXAD-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 5 hits for monomerid = 50088102   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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PubMed
19n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease 2 (MMP-2)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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PubMed
22n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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PubMed
27n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease-8


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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PubMed
28n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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PubMed
>100n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease 1 (MMP-1)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair