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SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO

InChI Key: InChIKey=JRKVJTDYMGJJAK-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 7 hits for monomerid = 50126605   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 9 (MMP-9).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 151n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 1 (MMP-1).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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PubMed
n/an/a 4n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 151n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 120n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50126605
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(cccc12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O5S/c1-38-22-12-14-23(15-13-22)39(36,37)33(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(34)32-35/h2-18,35H,19H2,1H3,(H,32,34)
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n/an/a 120n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE.


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair